4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide

C16H26N4O2S — CID 94031393

IUPAC4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)cs1
InChIInChI=1S/C16H26N4O2S/c1-12(15-4-3-9-22-15)17-16(21)20-7-5-19(6-8-20)10-14-11-23-13(2)18-14/h11-12,15H,3-10H2,1-2H3,(H,17,21)/t12-,15+/m0/s1
InChIKeyQXQZXGKUDNABQC-SWLSCSKDSA-N
MW338.48 g/mol
LogP1.85
Rot. Bonds4

About 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide

4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide (PubChem CID 94031393) has the molecular formula C16H26N4O2S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide
PubChem CID94031393
Molecular FormulaC16H26N4O2S
Molecular Weight338.48 g/mol
Exact Mass338.18
IUPAC Name4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide
SMILESCc1nc(CN2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)cs1
InChIInChI=1S/C16H26N4O2S/c1-12(15-4-3-9-22-15)17-16(21)20-7-5-19(6-8-20)10-14-11-23-13(2)18-14/h11-12,15H,3-10H2,1-2H3,(H,17,21)/t12-,15+/m0/s1
InChIKeyQXQZXGKUDNABQC-SWLSCSKDSA-N
XLogP1.85
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 38204358
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 42934909
2-(methylamino)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 62636980
cyclohexyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 110714326
7-bicyclo[4.1.0]heptanyl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 46972591
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 54872835
N-(2,2-dimethylpropyl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 110747501
2-amino-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119112229
N-[1-(4-chlorophenyl)propyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 55793482
(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 55691388
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(5-oxaspiro[3.5]nonan-8-yl)-1,4-diazepane-1-carboxamide
CID 127610374
N-cyclohexyl-4-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carbonyl]piperazine-1-carboxamide
CID 56514845

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide (CID 94031393) is 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide is Cc1nc(CN2CCN(C(=O)N[C@@H](C)[C@H]3CCCO3)CC2)cs1.
What is the InChIKey of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide?
The InChIKey is QXQZXGKUDNABQC-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H26N4O2S/c1-12(15-4-3-9-22-15)17-16(21)20-7-5-19(6-8-20)10-14-11-23-13(2)18-14/h11-12,15H,3-10H2,1-2H3,(H,17,21)/t12-,15+/m0/s1.
What are the key properties of 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide?
4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide has a molecular weight of 338.48 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 94031393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).