N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C20H15N5O2S — CID 24659582

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C20H15N5O2S/c26-18(14-11-21-20-25(19(14)27)9-10-28-20)22-13-7-5-12(6-8-13)17-23-15-3-1-2-4-16(15)24-17/h1-8,11H,9-10H2,(H,22,26)(H,23,24)
InChIKeyDBIAORYLTPZRPI-UHFFFAOYSA-N
MW389.44 g/mol
LogP3.14
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 24659582) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID24659582
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C20H15N5O2S/c26-18(14-11-21-20-25(19(14)27)9-10-28-20)22-13-7-5-12(6-8-13)17-23-15-3-1-2-4-16(15)24-17/h1-8,11H,9-10H2,(H,22,26)(H,23,24)
InChIKeyDBIAORYLTPZRPI-UHFFFAOYSA-N
XLogP3.14
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]-4-(2-oxo-2-phenylacetyl)benzamide
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N-(2,3-dihydro-1H-inden-5-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 26771500
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-oxo-2,3-dihydroisoindole-4-carboxamide
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N-[4-(1H-benzimidazol-2-yl)phenyl]-1-methylpyrazole-3-carboxamide
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(E)-4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobut-2-enoic acid
CID 6032890
N-hydroxy-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46175391
N-[4-(1H-benzimidazol-2-yl)phenyl]thiophene-3-carboxamide
CID 43029730
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-4,5-difluorobenzamide
CID 26264638
N-[4-(1H-benzimidazol-2-yl)phenyl]-4-bromobenzamide
CID 3011124
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-chloro-5-piperidin-1-ylsulfonylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 24659582) is N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is DBIAORYLTPZRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c26-18(14-11-21-20-25(19(14)27)9-10-28-20)22-13-7-5-12(6-8-13)17-23-15-3-1-2-4-16(15)24-17/h1-8,11H,9-10H2,(H,22,26)(H,23,24).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 24659582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).