4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

C14H22N4OS — CID 116669998

IUPAC4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(N2CCCCC2)nc1N)C1CC1
InChIInChI=1S/C14H22N4OS/c1-9(10-5-6-10)16-13(19)11-12(15)17-14(20-11)18-7-3-2-4-8-18/h9-10H,2-8,15H2,1H3,(H,16,19)
InChIKeyHIUAFBVVLMGDQH-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.24
Rot. Bonds4

About 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide

4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 116669998) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
PubChem CID116669998
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
SMILESCC(NC(=O)c1sc(N2CCCCC2)nc1N)C1CC1
InChIInChI=1S/C14H22N4OS/c1-9(10-5-6-10)16-13(19)11-12(15)17-14(20-11)18-7-3-2-4-8-18/h9-10H,2-8,15H2,1H3,(H,16,19)
InChIKeyHIUAFBVVLMGDQH-UHFFFAOYSA-N
XLogP2.24
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1-cyclopropylpropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116666580
4-amino-N-pentan-2-yl-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116668009
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 106358505
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
4-amino-N-(1-ethoxypropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664707
4-amino-N-(1-methylcyclohexyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116664825
4-amino-N-(2-propan-2-yloxyethyl)-2-pyrrolidin-1-yl-1,3-thiazole-5-carboxamide
CID 116673372
4-amino-N-(1-amino-1-oxopropan-2-yl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 116670116
methyl 4-amino-2-(azepan-1-yl)-1,3-thiazole-5-carboxylate
CID 12856243
4-amino-N-(2-methyloxolan-3-yl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116672052
4-amino-N-phenyl-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 116667453
4-amino-2-pyrrolidin-1-yl-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672281

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide (CID 116669998) is 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is CC(NC(=O)c1sc(N2CCCCC2)nc1N)C1CC1.
What is the InChIKey of 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is HIUAFBVVLMGDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-9(10-5-6-10)16-13(19)11-12(15)17-14(20-11)18-7-3-2-4-8-18/h9-10H,2-8,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide?
4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylethyl)-2-piperidin-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116669998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).