(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

C20H31N5OS — CID 26397010

IUPAC(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCC[C@H](C(=O)NCc3cn4ccsc4n3)C2)CC1
InChIInChI=1S/C20H31N5OS/c1-15(2)23-8-5-18(6-9-23)24-7-3-4-16(13-24)19(26)21-12-17-14-25-10-11-27-20(25)22-17/h10-11,14-16,18H,3-9,12-13H2,1-2H3,(H,21,26)/t16-/m0/s1
InChIKeyIHXQJMOEUVHKKQ-INIZCTEOSA-N
MW389.57 g/mol
LogP2.60
Rot. Bonds5

About (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide

(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (PubChem CID 26397010) has the molecular formula C20H31N5OS and a molecular weight of 389.57 g/mol. Its IUPAC name is (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
PubChem CID26397010
Molecular FormulaC20H31N5OS
Molecular Weight389.57 g/mol
Exact Mass389.22
IUPAC Name(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
SMILESCC(C)N1CCC(N2CCC[C@H](C(=O)NCc3cn4ccsc4n3)C2)CC1
InChIInChI=1S/C20H31N5OS/c1-15(2)23-8-5-18(6-9-23)24-7-3-4-16(13-24)19(26)21-12-17-14-25-10-11-27-20(25)22-17/h10-11,14-16,18H,3-9,12-13H2,1-2H3,(H,21,26)/t16-/m0/s1
InChIKeyIHXQJMOEUVHKKQ-INIZCTEOSA-N
XLogP2.60
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 45247722
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 115331593
(3S)-N-[(2-methylphenyl)methyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 29086668
1-(1-methylpiperidin-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 56877502
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidine-3-carboxamide
CID 55585660
N-(1-cycloheptylpiperidin-3-yl)-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 45244043
(3R)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1,1-dioxothiolane-3-carboxamide
CID 125168450
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55560269
2-imidazo[2,1-b][1,3]thiazol-6-yl-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94812709
(3R)-N-(1H-indol-4-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 28731376
(3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 95555582
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 55585448

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide (CID 26397010) is (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is CC(C)N1CCC(N2CCC[C@H](C(=O)NCc3cn4ccsc4n3)C2)CC1.
What is the InChIKey of (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
The InChIKey is IHXQJMOEUVHKKQ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H31N5OS/c1-15(2)23-8-5-18(6-9-23)24-7-3-4-16(13-24)19(26)21-12-17-14-25-10-11-27-20(25)22-17/h10-11,14-16,18H,3-9,12-13H2,1-2H3,(H,21,26)/t16-/m0/s1.
What are the key properties of (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide?
(3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide has a molecular weight of 389.57 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 26397010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).