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

C8H11N3OS — CID 82237387

IUPAC2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)NCc1nccs1
InChIInChI=1S/C8H11N3OS/c9-6-3-5(6)8(12)11-4-7-10-1-2-13-7/h1-2,5-6H,3-4,9H2,(H,11,12)
InChIKeyLADUTQZNXOIYCE-UHFFFAOYSA-N
MW197.26 g/mol
LogP0.11
Rot. Bonds3

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

2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 82237387) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID82237387
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide
SMILESNC1CC1C(=O)NCc1nccs1
InChIInChI=1S/C8H11N3OS/c9-6-3-5(6)8(12)11-4-7-10-1-2-13-7/h1-2,5-6H,3-4,9H2,(H,11,12)
InChIKeyLADUTQZNXOIYCE-UHFFFAOYSA-N
XLogP0.11
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
2-amino-N-[2-(1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 64825025
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 66237908
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110746410
cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95620997
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188
1-tert-butyl-N-(1,3-thiazol-2-ylmethyl)azetidine-2-carboxamide
CID 126836203
3-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55147887

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide (CID 82237387) is 2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide is NC1CC1C(=O)NCc1nccs1.
What is the InChIKey of 2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is LADUTQZNXOIYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-6-3-5(6)8(12)11-4-7-10-1-2-13-7/h1-2,5-6H,3-4,9H2,(H,11,12).
What are the key properties of 2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide?
2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 197.26 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-thiazol-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 82237387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).