N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide

C20H28N4OS — CID 45183595

IUPACN,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C)c(C(=O)N(C)C2CCCN(CCc3ccccc3)C2)s1
InChIInChI=1S/C20H28N4OS/c1-15-18(26-20(21-2)22-15)19(25)23(3)17-10-7-12-24(14-17)13-11-16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-14H2,1-3H3,(H,21,22)
InChIKeyAHUGHVRQVOOABB-UHFFFAOYSA-N
MW372.54 g/mol
LogP3.27
Rot. Bonds6

About N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 45183595) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID45183595
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC NameN,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCNc1nc(C)c(C(=O)N(C)C2CCCN(CCc3ccccc3)C2)s1
InChIInChI=1S/C20H28N4OS/c1-15-18(26-20(21-2)22-15)19(25)23(3)17-10-7-12-24(14-17)13-11-16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-14H2,1-3H3,(H,21,22)
InChIKeyAHUGHVRQVOOABB-UHFFFAOYSA-N
XLogP3.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]cyclopentene-1-carboxamide
CID 45191222
4-acetyl-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45196763
5-acetyl-N-methyl-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 25383007
2-benzyl-N-cycloheptyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55668344
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 45239167
4-(4-methoxyphenyl)-N-methyl-4-oxo-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]butanamide
CID 26319728
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 45229832
N,1,2-trimethyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]imidazole-4-sulfonamide
CID 95718153
N-methyl-N-[(3R)-1-(3-phenylpropyl)piperidin-3-yl]pyrazine-2-carboxamide
CID 42346476
2-(cyclohexen-1-yl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45198921

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 45183595) is N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide is CNc1nc(C)c(C(=O)N(C)C2CCCN(CCc3ccccc3)C2)s1.
What is the InChIKey of N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is AHUGHVRQVOOABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-15-18(26-20(21-2)22-15)19(25)23(3)17-10-7-12-24(14-17)13-11-16-8-5-4-6-9-16/h4-6,8-9,17H,7,10-14H2,1-3H3,(H,21,22).
What are the key properties of N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 372.54 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(methylamino)-N-[1-(2-phenylethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45183595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).