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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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).