(2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone

C16H19N3OS — CID 82035057

IUPAC(2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-11-7-5-6-10-19(11)15(20)14-13(18-16(17)21-14)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3,(H2,17,18)
InChIKeyPJORFQIHJSRSDS-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.41
Rot. Bonds2

About (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone

(2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 82035057) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID82035057
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name(2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C16H19N3OS/c1-11-7-5-6-10-19(11)15(20)14-13(18-16(17)21-14)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3,(H2,17,18)
InChIKeyPJORFQIHJSRSDS-UHFFFAOYSA-N
XLogP3.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-4-phenyl-1,3-thiazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 82035056
(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-2-yl)-(2-methylpiperidin-1-yl)methanone
CID 3610141
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
(2-methylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158156
(2-amino-1,3-benzothiazol-6-yl)-(2-methylpiperidin-1-yl)methanone
CID 43831279
[(2S)-2-methylpiperidin-1-yl]-(5-phenylthiadiazol-4-yl)methanone
CID 95739175
[4-amino-2-(propan-2-ylamino)-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 116667556
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 24537550
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
(3-amino-2-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 104742375
(2-amino-4-phenyl-1,3-thiazol-5-yl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 39115726

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone (CID 82035057) is (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1sc(N)nc1-c1ccccc1.
What is the InChIKey of (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is PJORFQIHJSRSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-11-7-5-6-10-19(11)15(20)14-13(18-16(17)21-14)12-8-3-2-4-9-12/h2-4,8-9,11H,5-7,10H2,1H3,(H2,17,18).
What are the key properties of (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone?
(2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 301.41 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-phenyl-1,3-thiazol-5-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 82035057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).