N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

C10H13N3O2S2 — CID 38309039

IUPACN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1SCC(N)=O
InChIInChI=1S/C10H13N3O2S2/c1-5-9(16-4-7(11)14)17-10(12-5)13-8(15)6-2-3-6/h6H,2-4H2,1H3,(H2,11,14)(H,12,13,15)
InChIKeyNNBGXFXTFPNPEN-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.38
Rot. Bonds5

About N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 38309039) has the molecular formula C10H13N3O2S2 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID38309039
Molecular FormulaC10H13N3O2S2
Molecular Weight271.37 g/mol
Exact Mass271.04
IUPAC NameN-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESCc1nc(NC(=O)C2CC2)sc1SCC(N)=O
InChIInChI=1S/C10H13N3O2S2/c1-5-9(16-4-7(11)14)17-10(12-5)13-8(15)6-2-3-6/h6H,2-4H2,1H3,(H2,11,14)(H,12,13,15)
InChIKeyNNBGXFXTFPNPEN-UHFFFAOYSA-N
XLogP1.38
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 38309039) is N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is Cc1nc(NC(=O)C2CC2)sc1SCC(N)=O.
What is the InChIKey of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is NNBGXFXTFPNPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S2/c1-5-9(16-4-7(11)14)17-10(12-5)13-8(15)6-2-3-6/h6H,2-4H2,1H3,(H2,11,14)(H,12,13,15).
What are the key properties of N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 271.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 38309039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).