N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

C16H17N7OS — CID 72873815

IUPACN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2cn3ccsc3n2)nc2ncnn12
InChIInChI=1S/C16H17N7OS/c1-10(2)13-7-12(21-15-18-9-19-23(13)15)14(24)17-4-3-11-8-22-5-6-25-16(22)20-11/h5-10H,3-4H2,1-2H3,(H,17,24)
InChIKeyBMRIGAZKISZSIX-UHFFFAOYSA-N
MW355.43 g/mol
LogP1.93
Rot. Bonds5

About N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide

N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 72873815) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID72873815
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC NameN-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCc2cn3ccsc3n2)nc2ncnn12
InChIInChI=1S/C16H17N7OS/c1-10(2)13-7-12(21-15-18-9-19-23(13)15)14(24)17-4-3-11-8-22-5-6-25-16(22)20-11/h5-10H,3-4H2,1-2H3,(H,17,24)
InChIKeyBMRIGAZKISZSIX-UHFFFAOYSA-N
XLogP1.93
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-propan-2-yl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 77082076
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CID 134027791
N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46996822
1-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-3-propylurea
CID 110661644
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)thiophene-2-carboxamide
CID 5310147
3,4-difluoro-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
CID 7150810
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N-[2-(4-methylpiperidin-1-yl)propyl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 46970474
1-cyclopentyl-3-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)urea
CID 110661647
2-ethoxy-N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)benzamide
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N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide (CID 72873815) is N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is CC(C)c1cc(C(=O)NCCc2cn3ccsc3n2)nc2ncnn12.
What is the InChIKey of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is BMRIGAZKISZSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-10(2)13-7-12(21-15-18-9-19-23(13)15)14(24)17-4-3-11-8-22-5-6-25-16(22)20-11/h5-10H,3-4H2,1-2H3,(H,17,24).
What are the key properties of N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide?
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 72873815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).