N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

C14H22N4OS — CID 11652275

IUPACN-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(CN2CCCCC2)sc1C(=O)NC1CC1
InChIInChI=1S/C14H22N4OS/c1-15-13-12(14(19)16-10-5-6-10)20-11(17-13)9-18-7-3-2-4-8-18/h10,15H,2-9H2,1H3,(H,16,19)
InChIKeyYLNOZVGPMNJFBN-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.06
Rot. Bonds5

About N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide

N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 11652275) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID11652275
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCNc1nc(CN2CCCCC2)sc1C(=O)NC1CC1
InChIInChI=1S/C14H22N4OS/c1-15-13-12(14(19)16-10-5-6-10)20-11(17-13)9-18-7-3-2-4-8-18/h10,15H,2-9H2,1H3,(H,16,19)
InChIKeyYLNOZVGPMNJFBN-UHFFFAOYSA-N
XLogP2.06
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387370
ethyl 4-[[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 110387107
N-(1,1-dioxothiolan-3-yl)-4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 110387362
(2,3,4,5,6-pentafluorophenyl) 4-(methylamino)-2-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylate
CID 58804992
ethyl 4-(3-methoxypropylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxylate
CID 58804970
[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 110387320
1-[2-(azepan-1-ylmethyl)-4-ethyl-1,3-thiazol-5-yl]ethanone
CID 82430866
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
(4-methylpiperidin-1-yl)-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]methanone
CID 110387059
N-cyclohexyl-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 110386309
1-[4-[4-methyl-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]ethanone
CID 110387336

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide (CID 11652275) is N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is CNc1nc(CN2CCCCC2)sc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is YLNOZVGPMNJFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-15-13-12(14(19)16-10-5-6-10)20-11(17-13)9-18-7-3-2-4-8-18/h10,15H,2-9H2,1H3,(H,16,19).
What are the key properties of N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide?
N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 294.42 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-(methylamino)-2-(piperidin-1-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 11652275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).