4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

C15H24N4OS — CID 116664825

IUPAC4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC1(NC(=O)c2sc(N3CCCC3)nc2N)CCCCC1
InChIInChI=1S/C15H24N4OS/c1-15(7-3-2-4-8-15)18-13(20)11-12(16)17-14(21-11)19-9-5-6-10-19/h2-10,16H2,1H3,(H,18,20)
InChIKeyGMIMGJRATJTVBL-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.78
Rot. Bonds3

About 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116664825) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116664825
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC Name4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC1(NC(=O)c2sc(N3CCCC3)nc2N)CCCCC1
InChIInChI=1S/C15H24N4OS/c1-15(7-3-2-4-8-15)18-13(20)11-12(16)17-14(21-11)19-9-5-6-10-19/h2-10,16H2,1H3,(H,18,20)
InChIKeyGMIMGJRATJTVBL-UHFFFAOYSA-N
XLogP2.78
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide (CID 116664825) is 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is CC1(NC(=O)c2sc(N3CCCC3)nc2N)CCCCC1.
What is the InChIKey of 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GMIMGJRATJTVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-15(7-3-2-4-8-15)18-13(20)11-12(16)17-14(21-11)19-9-5-6-10-19/h2-10,16H2,1H3,(H,18,20).
What are the key properties of 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).