2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide

C17H20N4O2S — CID 46355372

IUPAC2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
InChIInChI=1S/C17H20N4O2S/c18-14(22)13-16(21-15(23)11-7-3-1-4-8-11)24-17(20-13)19-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H2,18,22)(H,19,20)(H,21,23)
InChIKeyRZCNASHHHSKTGP-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.50
Rot. Bonds5

About 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide

2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide (PubChem CID 46355372) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide
PubChem CID46355372
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1
InChIInChI=1S/C17H20N4O2S/c18-14(22)13-16(21-15(23)11-7-3-1-4-8-11)24-17(20-13)19-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H2,18,22)(H,19,20)(H,21,23)
InChIKeyRZCNASHHHSKTGP-UHFFFAOYSA-N
XLogP3.50
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide (CID 46355372) is 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide is NC(=O)c1nc(Nc2ccccc2)sc1NC(=O)C1CCCCC1.
What is the InChIKey of 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is RZCNASHHHSKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c18-14(22)13-16(21-15(23)11-7-3-1-4-8-11)24-17(20-13)19-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H2,18,22)(H,19,20)(H,21,23).
What are the key properties of 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide?
2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46355372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).