2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide

C10H11ClN4OS — CID 133441968

IUPAC2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1c(Cl)nsc1NCC(=O)NCC1CC1
InChIInChI=1S/C10H11ClN4OS/c11-9-7(3-12)10(17-15-9)14-5-8(16)13-4-6-1-2-6/h6,14H,1-2,4-5H2,(H,13,16)
InChIKeyZDQAMNIEODMTHX-UHFFFAOYSA-N
MW270.75 g/mol
LogP1.61
Rot. Bonds5

About 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide

2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide (PubChem CID 133441968) has the molecular formula C10H11ClN4OS and a molecular weight of 270.75 g/mol. Its IUPAC name is 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide
PubChem CID133441968
Molecular FormulaC10H11ClN4OS
Molecular Weight270.75 g/mol
Exact Mass270.03
IUPAC Name2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide
SMILESN#Cc1c(Cl)nsc1NCC(=O)NCC1CC1
InChIInChI=1S/C10H11ClN4OS/c11-9-7(3-12)10(17-15-9)14-5-8(16)13-4-6-1-2-6/h6,14H,1-2,4-5H2,(H,13,16)
InChIKeyZDQAMNIEODMTHX-UHFFFAOYSA-N
XLogP1.61
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.75
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide (CID 133441968) is 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide is N#Cc1c(Cl)nsc1NCC(=O)NCC1CC1.
What is the InChIKey of 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide?
The InChIKey is ZDQAMNIEODMTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS/c11-9-7(3-12)10(17-15-9)14-5-8(16)13-4-6-1-2-6/h6,14H,1-2,4-5H2,(H,13,16).
What are the key properties of 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide?
2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide has a molecular weight of 270.75 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-cyano-1,2-thiazol-5-yl)amino]-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 133441968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).