N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

C16H24N4O3S2 — CID 25286834

IUPACN-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2cnc(S(C)(=O)=O)n2C[C@@H]2CCCO2)cs1
InChIInChI=1S/C16H24N4O3S2/c1-12-18-13(11-24-12)8-19(2)9-14-7-17-16(25(3,21)22)20(14)10-15-5-4-6-23-15/h7,11,15H,4-6,8-10H2,1-3H3/t15-/m0/s1
InChIKeyQKOADPJKLJGTQB-HNNXBMFYSA-N
MW384.53 g/mol
LogP1.86
Rot. Bonds7

About N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine

N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 25286834) has the molecular formula C16H24N4O3S2 and a molecular weight of 384.53 g/mol. Its IUPAC name is N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID25286834
Molecular FormulaC16H24N4O3S2
Molecular Weight384.53 g/mol
Exact Mass384.13
IUPAC NameN-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
SMILESCc1nc(CN(C)Cc2cnc(S(C)(=O)=O)n2C[C@@H]2CCCO2)cs1
InChIInChI=1S/C16H24N4O3S2/c1-12-18-13(11-24-12)8-19(2)9-14-7-17-16(25(3,21)22)20(14)10-15-5-4-6-23-15/h7,11,15H,4-6,8-10H2,1-3H3/t15-/m0/s1
InChIKeyQKOADPJKLJGTQB-HNNXBMFYSA-N
XLogP1.86
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine with MolForge

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Related Compounds

2-(1-Ethoxyethyl)-4-[[2-(1-methylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 75398024
(1S)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 124843016
1-[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]-N-methyl-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 28139650
4-{[2-(methylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 45182028
N-methyl-1-(2-methyl-1,3-thiazol-4-yl)-N-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}methanamine
CID 45184137
1-(1-ethyl-1H-imidazol-2-yl)-N-methyl-N-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}methanamine
CID 45187019
N-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-N,2-dimethyl-1-propanamine
CID 45212502
2-(1-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-2-pyrrolidinyl)-1,3-thiazole
CID 45221489
N-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-propanamine
CID 45227860
2-[(2R)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole
CID 25286307
2-[(2S)-1-[[2-(cyclopropylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]-1,3-thiazole
CID 25286309
1-[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methylmethanamine
CID 25286472

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine (CID 25286834) is N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is Cc1nc(CN(C)Cc2cnc(S(C)(=O)=O)n2C[C@@H]2CCCO2)cs1.
What is the InChIKey of N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is QKOADPJKLJGTQB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24N4O3S2/c1-12-18-13(11-24-12)8-19(2)9-14-7-17-16(25(3,21)22)20(14)10-15-5-4-6-23-15/h7,11,15H,4-6,8-10H2,1-3H3/t15-/m0/s1.
What are the key properties of N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine?
N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 384.53 g/mol, XLogP of 1.86, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 25286834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).