N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide

C8H11ClN2OS — CID 130617010

IUPACN-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(Cl)ns1
InChIInChI=1S/C8H11ClN2OS/c1-3-5(2)10-8(12)6-4-7(9)11-13-6/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyOUEUXHMAGIKZTA-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.32
Rot. Bonds3

About N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide

N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide (PubChem CID 130617010) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide
PubChem CID130617010
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC NameN-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1cc(Cl)ns1
InChIInChI=1S/C8H11ClN2OS/c1-3-5(2)10-8(12)6-4-7(9)11-13-6/h4-5H,3H2,1-2H3,(H,10,12)
InChIKeyOUEUXHMAGIKZTA-UHFFFAOYSA-N
XLogP2.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-1,2-thiazole-5-carboxamide
CID 127003282
2-amino-N-butan-2-yl-6-chloropyridine-4-carboxamide
CID 62155359
N-butan-2-yl-1,3-thiazole-5-carboxamide
CID 110848421
5-(propan-2-ylcarbamoyl)-1,2-thiazole-3-carboxylic acid
CID 117218326
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 97415060
3-amino-N-butan-2-yl-1H-pyrazole-5-carboxamide
CID 64524201
N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide
CID 95358520
N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
CID 103402961
3-amino-N-butan-2-yl-1-ethylpyrazole-5-carboxamide
CID 122171294
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide (CID 130617010) is N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide is CCC(C)NC(=O)c1cc(Cl)ns1.
What is the InChIKey of N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide?
The InChIKey is OUEUXHMAGIKZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-3-5(2)10-8(12)6-4-7(9)11-13-6/h4-5H,3H2,1-2H3,(H,10,12).
What are the key properties of N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide?
N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide has a molecular weight of 218.71 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-chloro-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 130617010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).