N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

C19H21N5OS2 — CID 126775320

IUPACN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3cnc(-c4ccsc4)s3)CC2)ncn1
InChIInChI=1S/C19H21N5OS2/c1-2-14-9-17(22-12-21-14)24-6-3-15(4-7-24)23-18(25)16-10-20-19(27-16)13-5-8-26-11-13/h5,8-12,15H,2-4,6-7H2,1H3,(H,23,25)
InChIKeyTWSPLVHSWPXQKF-UHFFFAOYSA-N
MW399.55 g/mol
LogP3.62
Rot. Bonds5

About N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide

N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 126775320) has the molecular formula C19H21N5OS2 and a molecular weight of 399.55 g/mol. Its IUPAC name is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID126775320
Molecular FormulaC19H21N5OS2
Molecular Weight399.55 g/mol
Exact Mass399.12
IUPAC NameN-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESCCc1cc(N2CCC(NC(=O)c3cnc(-c4ccsc4)s3)CC2)ncn1
InChIInChI=1S/C19H21N5OS2/c1-2-14-9-17(22-12-21-14)24-6-3-15(4-7-24)23-18(25)16-10-20-19(27-16)13-5-8-26-11-13/h5,8-12,15H,2-4,6-7H2,1H3,(H,23,25)
InChIKeyTWSPLVHSWPXQKF-UHFFFAOYSA-N
XLogP3.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.55
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-(4-hydroxycyclohexyl)-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111118283
2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 136512439
N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]thiophene-3-carboxamide
CID 133298747
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
CID 154803218
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
N-[2-(2-methylpiperidin-1-yl)ethyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 75463616
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 167870558
7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
CID 119897857
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
CID 136545875
N-[1-(1,2,5-thiadiazol-3-yl)piperidin-4-yl]-4-thiophen-3-ylbenzamide
CID 131702121

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 126775320) is N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is CCc1cc(N2CCC(NC(=O)c3cnc(-c4ccsc4)s3)CC2)ncn1.
What is the InChIKey of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is TWSPLVHSWPXQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS2/c1-2-14-9-17(22-12-21-14)24-6-3-15(4-7-24)23-18(25)16-10-20-19(27-16)13-5-8-26-11-13/h5,8-12,15H,2-4,6-7H2,1H3,(H,23,25).
What are the key properties of N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 399.55 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 126775320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).