6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

C17H21N5OS — CID 91628642

IUPAC6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H21N5OS/c23-16(21-17-20-12-6-2-3-7-14(12)24-17)13-10-15(19-11-18-13)22-8-4-1-5-9-22/h10-11H,1-9H2,(H,20,21,23)
InChIKeyLCFZJDAOVHNCAC-UHFFFAOYSA-N
MW343.46 g/mol
LogP3.05
Rot. Bonds3

About 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 91628642) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID91628642
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nc2c(s1)CCCC2)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H21N5OS/c23-16(21-17-20-12-6-2-3-7-14(12)24-17)13-10-15(19-11-18-13)22-8-4-1-5-9-22/h10-11H,1-9H2,(H,20,21,23)
InChIKeyLCFZJDAOVHNCAC-UHFFFAOYSA-N
XLogP3.05
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 71601845
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-6-(piperidin-1-yl)pyrimidine-4-carboxamide
CID 91628649
2-methyl-N-prop-2-enyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
CID 71940521
6-(difluoromethyl)-N-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl)pyrimidine-4-carboxamide
CID 136564827
2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]-N-phenylpyrimidine-4-carboxamide
CID 58440781
1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 58440784
2-chloro-N-methyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
CID 58440808
2-chloro-N-cyclopentyl-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
CID 58440846
2-chloro-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
CID 58441099
2-chloro-N-(2-hydroxyethyl)-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
CID 58441138
N-[(2S)-3-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611077
N-[3-(2-amino-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611080

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide (CID 91628642) is 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide is O=C(Nc1nc2c(s1)CCCC2)c1cc(N2CCCCC2)ncn1.
What is the InChIKey of 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is LCFZJDAOVHNCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-16(21-17-20-12-6-2-3-7-14(12)24-17)13-10-15(19-11-18-13)22-8-4-1-5-9-22/h10-11H,1-9H2,(H,20,21,23).
What are the key properties of 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide?
6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 91628642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).