1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide

C9H13N3OS — CID 119891584

IUPAC1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1(N)CC1
InChIInChI=1S/C9H13N3OS/c1-12(6-7-11-4-5-14-7)8(13)9(10)2-3-9/h4-5H,2-3,6,10H2,1H3
InChIKeyBLILAYONCQAZFN-UHFFFAOYSA-N
MW211.29 g/mol
LogP0.59
Rot. Bonds3

About 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide

1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 119891584) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID119891584
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC Name1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCN(Cc1nccs1)C(=O)C1(N)CC1
InChIInChI=1S/C9H13N3OS/c1-12(6-7-11-4-5-14-7)8(13)9(10)2-3-9/h4-5H,2-3,6,10H2,1H3
InChIKeyBLILAYONCQAZFN-UHFFFAOYSA-N
XLogP0.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-Oxo-4-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanamide
CID 9943002
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CID 71868950
2-[2-(1,3-Thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868956
N-tert-butyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylamino]acetamide
CID 71986837
4-(acetylamino)-N-methyl-N-(1,3-thiazol-2-ylmethyl)butanamide
CID 86285742
(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237746
(2S)-2-(4-methylpiperazin-1-yl)-N-[3-(1,3-thiazol-2-yl)propyl]propanamide
CID 125129944
(2R)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 53800979
(2S)-3-methyl-N-(1,3-thiazol-2-ylmethyl)-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 57202674
2-[methyl(1,3-thiazol-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 75386183
2-amino-3,3,3-trifluoro-2-methyl-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 79804766
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]propanamide
CID 79810680

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide (CID 119891584) is 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide is CN(Cc1nccs1)C(=O)C1(N)CC1.
What is the InChIKey of 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is BLILAYONCQAZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-12(6-7-11-4-5-14-7)8(13)9(10)2-3-9/h4-5H,2-3,6,10H2,1H3.
What are the key properties of 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide?
1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 211.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 119891584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).