4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide

C19H25N3O2S — CID 126769370

IUPAC4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(C)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C19H25N3O2S/c1-13-17(25-18(20-13)16-6-4-3-5-7-16)14(2)21-19(24)22-10-8-15(12-23)9-11-22/h3-7,14-15,23H,8-12H2,1-2H3,(H,21,24)
InChIKeyMFQHKOCSOKHNPH-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.59
Rot. Bonds4

About 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide (PubChem CID 126769370) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
PubChem CID126769370
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide
SMILESCc1nc(-c2ccccc2)sc1C(C)NC(=O)N1CCC(CO)CC1
InChIInChI=1S/C19H25N3O2S/c1-13-17(25-18(20-13)16-6-4-3-5-7-16)14(2)21-19(24)22-10-8-15(12-23)9-11-22/h3-7,14-15,23H,8-12H2,1-2H3,(H,21,24)
InChIKeyMFQHKOCSOKHNPH-UHFFFAOYSA-N
XLogP3.59
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 126787628
2-(cyclopropylmethylamino)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 119750102
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
3-methyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 60568920
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 60568886
2,2-dimethyl-4-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 119133695
1-amino-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119750075
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 119750100
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119778547
2-[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]acetic acid
CID 119177854
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;hydrochloride
CID 119750099
3-(hydroxymethyl)-N-(1-naphthalen-2-ylethyl)pyrrolidine-1-carboxamide
CID 111443508

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide (CID 126769370) is 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide is Cc1nc(-c2ccccc2)sc1C(C)NC(=O)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is MFQHKOCSOKHNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-13-17(25-18(20-13)16-6-4-3-5-7-16)14(2)21-19(24)22-10-8-15(12-23)9-11-22/h3-7,14-15,23H,8-12H2,1-2H3,(H,21,24).
What are the key properties of 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 359.50 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 126769370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).