2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide

C17H22N4O2S3 — CID 166357103

IUPAC2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(CC(=O)Nc2ncc(C3CCCCC3)s2)cs1)C(N)=O
InChIInChI=1S/C17H22N4O2S3/c1-10(15(18)23)25-17-20-12(9-24-17)7-14(22)21-16-19-8-13(26-16)11-5-3-2-4-6-11/h8-11H,2-7H2,1H3,(H2,18,23)(H,19,21,22)
InChIKeyYPABZPPJBAQMIR-UHFFFAOYSA-N
MW410.59 g/mol
LogP3.79
Rot. Bonds7

About 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide

2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide (PubChem CID 166357103) has the molecular formula C17H22N4O2S3 and a molecular weight of 410.59 g/mol. Its IUPAC name is 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide.

Molecular Properties

Compound Name2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide
PubChem CID166357103
Molecular FormulaC17H22N4O2S3
Molecular Weight410.59 g/mol
Exact Mass410.09
IUPAC Name2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide
SMILESCC(Sc1nc(CC(=O)Nc2ncc(C3CCCCC3)s2)cs1)C(N)=O
InChIInChI=1S/C17H22N4O2S3/c1-10(15(18)23)25-17-20-12(9-24-17)7-14(22)21-16-19-8-13(26-16)11-5-3-2-4-6-11/h8-11H,2-7H2,1H3,(H2,18,23)(H,19,21,22)
InChIKeyYPABZPPJBAQMIR-UHFFFAOYSA-N
XLogP3.79
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide?
The IUPAC name of 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide (CID 166357103) is 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide.
What is the SMILES notation for 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide?
The canonical SMILES for 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide is CC(Sc1nc(CC(=O)Nc2ncc(C3CCCCC3)s2)cs1)C(N)=O.
What is the InChIKey of 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide?
The InChIKey is YPABZPPJBAQMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S3/c1-10(15(18)23)25-17-20-12(9-24-17)7-14(22)21-16-19-8-13(26-16)11-5-3-2-4-6-11/h8-11H,2-7H2,1H3,(H2,18,23)(H,19,21,22).
What are the key properties of 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide?
2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide has a molecular weight of 410.59 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[(5-cyclohexyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]sulfanyl]propanamide is sourced from PubChem (CID 166357103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).