N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide

C17H23N5OS — CID 129359240

IUPACN-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
SMILESCc1cnc([C@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)C2CC2)s1
InChIInChI=1S/C17H23N5OS/c1-11-8-19-16(24-11)15(13-2-3-13)21-17(23)22-6-4-12(5-7-22)14-9-18-10-20-14/h8-10,12-13,15H,2-7H2,1H3,(H,18,20)(H,21,23)/t15-/m1/s1
InChIKeyPPOCGILRRAGDHT-OAHLLOKOSA-N
MW345.47 g/mol
LogP3.21
Rot. Bonds4

About N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide

N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide (PubChem CID 129359240) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
PubChem CID129359240
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC NameN-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
SMILESCc1cnc([C@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)C2CC2)s1
InChIInChI=1S/C17H23N5OS/c1-11-8-19-16(24-11)15(13-2-3-13)21-17(23)22-6-4-12(5-7-22)14-9-18-10-20-14/h8-10,12-13,15H,2-7H2,1H3,(H,18,20)(H,21,23)/t15-/m1/s1
InChIKeyPPOCGILRRAGDHT-OAHLLOKOSA-N
XLogP3.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-3-(1,3-thiazol-2-yl)butanamide
CID 25149710
4-((1H-imidazol-4-yl)methyl)-N-(thiazol-2-yl)piperidine-1-carboxamide
CID 44408055
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 75423424
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 75423442
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 84585198
5-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-1,3-thiazole
CID 22956171
1-[(2S)-2-(5-methyl-1,3-thiazol-2-yl)propyl]-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
CID 97614955
1-methyl-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]-1-[(2S)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97814028
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide
CID 121551248
(3S)-3-(3-tert-butylimidazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-1-carboxamide
CID 164630894
2-[3-(1H-imidazol-5-yl)propyl]-1-[3-(1,3-thiazol-2-yl)propyl]guanidine
CID 13499371
1-[2-[[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine
CID 13903306

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide (CID 129359240) is N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide is Cc1cnc([C@H](NC(=O)N2CCC(c3cnc[nH]3)CC2)C2CC2)s1.
What is the InChIKey of N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide?
The InChIKey is PPOCGILRRAGDHT-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5OS/c1-11-8-19-16(24-11)15(13-2-3-13)21-17(23)22-6-4-12(5-7-22)14-9-18-10-20-14/h8-10,12-13,15H,2-7H2,1H3,(H,18,20)(H,21,23)/t15-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide?
N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-4-(1H-imidazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 129359240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).