1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

C15H30N4OS — CID 43665203

IUPAC1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNCC(CC(C)C)N(C)C
InChIInChI=1S/C15H30N4OS/c1-11(2)8-12(18(3)4)9-16-10-13-14(20-7)17-15(21-13)19(5)6/h11-12,16H,8-10H2,1-7H3
InChIKeyGTONRDQFDJNKMX-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.28
Rot. Bonds9

About 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine

1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (PubChem CID 43665203) has the molecular formula C15H30N4OS and a molecular weight of 314.50 g/mol. Its IUPAC name is 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
PubChem CID43665203
Molecular FormulaC15H30N4OS
Molecular Weight314.50 g/mol
Exact Mass314.21
IUPAC Name1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine
SMILESCOc1nc(N(C)C)sc1CNCC(CC(C)C)N(C)C
InChIInChI=1S/C15H30N4OS/c1-11(2)8-12(18(3)4)9-16-10-13-14(20-7)17-15(21-13)19(5)6/h11-12,16H,8-10H2,1-7H3
InChIKeyGTONRDQFDJNKMX-UHFFFAOYSA-N
XLogP2.28
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644
2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945684
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665239
2-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]acetamide
CID 43665038
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
5-[(dicyclopropylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665172
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43665272
4-methoxy-N,N-dimethyl-5-[[[(1S)-1-phenylethyl]amino]methyl]-1,3-thiazol-2-amine
CID 81351809
5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 81388637
4-methoxy-N,N-dimethyl-5-[(2-phenylethylamino)methyl]-1,3-thiazol-2-amine
CID 43665108
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881

Frequently Asked Questions

What is the IUPAC name of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine (CID 43665203) is 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is COc1nc(N(C)C)sc1CNCC(CC(C)C)N(C)C.
What is the InChIKey of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
The InChIKey is GTONRDQFDJNKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4OS/c1-11(2)8-12(18(3)4)9-16-10-13-14(20-7)17-15(21-13)19(5)6/h11-12,16H,8-10H2,1-7H3.
What are the key properties of 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine?
1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine has a molecular weight of 314.50 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-2-N,2-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 43665203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).