N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine

C18H21N5S2 — CID 124973071

IUPACN-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc([C@@H]3CCCN3Cc3scnc3C)cs2)nc1
InChIInChI=1S/C18H21N5S2/c1-12-5-6-17(19-8-12)22-18-21-14(10-24-18)15-4-3-7-23(15)9-16-13(2)20-11-25-16/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3,(H,19,21,22)/t15-/m0/s1
InChIKeyKHSGXRDXIOHEEQ-HNNXBMFYSA-N
MW371.54 g/mol
LogP4.69
Rot. Bonds5

About N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine

N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine (PubChem CID 124973071) has the molecular formula C18H21N5S2 and a molecular weight of 371.54 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine
PubChem CID124973071
Molecular FormulaC18H21N5S2
Molecular Weight371.54 g/mol
Exact Mass371.12
IUPAC NameN-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nc([C@@H]3CCCN3Cc3scnc3C)cs2)nc1
InChIInChI=1S/C18H21N5S2/c1-12-5-6-17(19-8-12)22-18-21-14(10-24-18)15-4-3-7-23(15)9-16-13(2)20-11-25-16/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3,(H,19,21,22)/t15-/m0/s1
InChIKeyKHSGXRDXIOHEEQ-HNNXBMFYSA-N
XLogP4.69
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.54
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

4-[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N-(5-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 110111543
N-pyridin-2-yl-4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-amine
CID 155986742
2-[(3R)-3-[2-[(5-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]piperidin-1-yl]ethanol
CID 95827934
4-methyl-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]-1,3-thiazole
CID 136543289
2-[[4-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]amino]pyridine-4-carbonitrile
CID 132770960
N-methyl-2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 175655316
2-[2-[2-(pyridin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 110270492
3-[2-methyl-6-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-4-pyridinyl]propanoic acid
CID 95827377
2-[2-[2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]pyrrolidin-1-yl]acetamide
CID 118740364
5-benzyl-2-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-oxazole
CID 125026769
N-[6-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyrimidin-4-yl]-1,3,4-thiadiazol-2-amine
CID 95820339
N-[4-[1-(1,3-thiazol-5-ylmethyl)pyrrolidin-2-yl]-1,3-thiazol-2-yl]acetamide
CID 155986787

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine (CID 124973071) is N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nc([C@@H]3CCCN3Cc3scnc3C)cs2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine?
The InChIKey is KHSGXRDXIOHEEQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5S2/c1-12-5-6-17(19-8-12)22-18-21-14(10-24-18)15-4-3-7-23(15)9-16-13(2)20-11-25-16/h5-6,8,10-11,15H,3-4,7,9H2,1-2H3,(H,19,21,22)/t15-/m0/s1.
What are the key properties of N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine?
N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine has a molecular weight of 371.54 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-4-[(2S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 124973071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).