4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide

C14H22N4O2S — CID 52905848

IUPAC4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1nsc(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C14H22N4O2S/c1-8(2)16-13(19)11-10(15)12(21-18-11)14(20)17-9-6-4-3-5-7-9/h8-9H,3-7,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXSRQASHQPQVQCR-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.93
Rot. Bonds4

About 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide (PubChem CID 52905848) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
PubChem CID52905848
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide
SMILESCC(C)NC(=O)c1nsc(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C14H22N4O2S/c1-8(2)16-13(19)11-10(15)12(21-18-11)14(20)17-9-6-4-3-5-7-9/h8-9H,3-7,15H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyXSRQASHQPQVQCR-UHFFFAOYSA-N
XLogP1.93
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide (CID 52905848) is 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide is CC(C)NC(=O)c1nsc(C(=O)NC2CCCCC2)c1N.
What is the InChIKey of 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is XSRQASHQPQVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-8(2)16-13(19)11-10(15)12(21-18-11)14(20)17-9-6-4-3-5-7-9/h8-9H,3-7,15H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-cyclohexyl-3-N-propan-2-yl-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 52905848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).