N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide

C17H13N5O2S — CID 121167387

IUPACN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)ncn1
InChIInChI=1S/C17H13N5O2S/c1-24-15-8-13(18-10-19-15)16(23)20-12-4-2-3-11(7-12)14-9-22-5-6-25-17(22)21-14/h2-10H,1H3,(H,20,23)
InChIKeyNLSGEZIIEVIISF-UHFFFAOYSA-N
MW351.39 g/mol
LogP3.11
Rot. Bonds4

About N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide (PubChem CID 121167387) has the molecular formula C17H13N5O2S and a molecular weight of 351.39 g/mol. Its IUPAC name is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide
PubChem CID121167387
Molecular FormulaC17H13N5O2S
Molecular Weight351.39 g/mol
Exact Mass351.08
IUPAC NameN-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)ncn1
InChIInChI=1S/C17H13N5O2S/c1-24-15-8-13(18-10-19-15)16(23)20-12-4-2-3-11(7-12)14-9-22-5-6-25-17(22)21-14/h2-10H,1H3,(H,20,23)
InChIKeyNLSGEZIIEVIISF-UHFFFAOYSA-N
XLogP3.11
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137147397
4-tert-butyl-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)benzamide
CID 40506192
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3,4-dimethylbenzamide
CID 40506197
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-4-iodobenzamide
CID 983313
2-(3,4-dimethoxyphenyl)-N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 40506189
6-methoxy-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 121167293
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methyl-3-nitrobenzamide
CID 40506170
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 71778520
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-naphthalen-2-yloxyacetamide
CID 40506163
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-methylbenzamide
CID 852128
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide (CID 121167387) is N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)Nc2cccc(-c3cn4ccsc4n3)c2)ncn1.
What is the InChIKey of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide?
The InChIKey is NLSGEZIIEVIISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2S/c1-24-15-8-13(18-10-19-15)16(23)20-12-4-2-3-11(7-12)14-9-22-5-6-25-17(22)21-14/h2-10H,1H3,(H,20,23).
What are the key properties of N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide?
N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide has a molecular weight of 351.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).