N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride

C9H17Cl2N3OS — CID 120506203

IUPACN-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(C)c(C(=O)N[C@@H](C)CN)s1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-5(4-10)11-9(13)8-6(2)12-7(3)14-8;;/h5H,4,10H2,1-3H3,(H,11,13);2*1H/t5-;;/m0../s1
InChIKeyKGPYFAFMEIYUJT-XRIGFGBMSA-N
MW286.23 g/mol
LogP1.68
Rot. Bonds3

About N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride

N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120506203) has the molecular formula C9H17Cl2N3OS and a molecular weight of 286.23 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120506203
Molecular FormulaC9H17Cl2N3OS
Molecular Weight286.23 g/mol
Exact Mass285.05
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(C)c(C(=O)N[C@@H](C)CN)s1.Cl.Cl
InChIInChI=1S/C9H15N3OS.2ClH/c1-5(4-10)11-9(13)8-6(2)12-7(3)14-8;;/h5H,4,10H2,1-3H3,(H,11,13);2*1H/t5-;;/m0../s1
InChIKeyKGPYFAFMEIYUJT-XRIGFGBMSA-N
XLogP1.68
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119614140
N-(2-amino-1-cyclopropylethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 103807307
(2S)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 39315129
(2R)-2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 78972825
2,4-dimethyl-N-[2-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
CID 120826574
N-[(2S)-1-aminopropan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 131019261
3-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 167936797
N-(1-amino-2,3-dimethylbutan-2-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265800
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 43630699
2,4-dimethyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 92597751
2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-3-methoxypropanoic acid
CID 81076692
propan-2-yl 2-[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]-4-methylsulfanylbutanoate
CID 74224944

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120506203) is N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(C)c(C(=O)N[C@@H](C)CN)s1.Cl.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is KGPYFAFMEIYUJT-XRIGFGBMSA-N. The full InChI is InChI=1S/C9H15N3OS.2ClH/c1-5(4-10)11-9(13)8-6(2)12-7(3)14-8;;/h5H,4,10H2,1-3H3,(H,11,13);2*1H/t5-;;/m0../s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 286.23 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2,4-dimethyl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120506203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).