3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide

C16H21N5O2S2 — CID 27454237

IUPAC3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1csc(NC(=O)NC2CCCCC2)n1)Nc1nccs1
InChIInChI=1S/C16H21N5O2S2/c22-13(20-15-17-8-9-24-15)7-6-12-10-25-16(19-12)21-14(23)18-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,17,20,22)(H2,18,19,21,23)
InChIKeyQFIIFJYIGNMVPH-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.63
Rot. Bonds6

About 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide

3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 27454237) has the molecular formula C16H21N5O2S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
PubChem CID27454237
Molecular FormulaC16H21N5O2S2
Molecular Weight379.51 g/mol
Exact Mass379.11
IUPAC Name3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1csc(NC(=O)NC2CCCCC2)n1)Nc1nccs1
InChIInChI=1S/C16H21N5O2S2/c22-13(20-15-17-8-9-24-15)7-6-12-10-25-16(19-12)21-14(23)18-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,17,20,22)(H2,18,19,21,23)
InChIKeyQFIIFJYIGNMVPH-UHFFFAOYSA-N
XLogP3.63
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide (CID 27454237) is 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide is O=C(CCc1csc(NC(=O)NC2CCCCC2)n1)Nc1nccs1.
What is the InChIKey of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is QFIIFJYIGNMVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S2/c22-13(20-15-17-8-9-24-15)7-6-12-10-25-16(19-12)21-14(23)18-11-4-2-1-3-5-11/h8-11H,1-7H2,(H,17,20,22)(H2,18,19,21,23).
What are the key properties of 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide?
3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 379.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 27454237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).