N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

C12H11N5O2S2 — CID 167937856

IUPACN-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1nc(CNC(=O)c2cn3ccnc3s2)sc1C(N)=O
InChIInChI=1S/C12H11N5O2S2/c1-6-9(10(13)18)21-8(16-6)4-15-11(19)7-5-17-3-2-14-12(17)20-7/h2-3,5H,4H2,1H3,(H2,13,18)(H,15,19)
InChIKeyGQOUHZNNFVHKPD-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.19
Rot. Bonds4

About N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide

N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (PubChem CID 167937856) has the molecular formula C12H11N5O2S2 and a molecular weight of 321.39 g/mol. Its IUPAC name is N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
PubChem CID167937856
Molecular FormulaC12H11N5O2S2
Molecular Weight321.39 g/mol
Exact Mass321.04
IUPAC NameN-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
SMILESCc1nc(CNC(=O)c2cn3ccnc3s2)sc1C(N)=O
InChIInChI=1S/C12H11N5O2S2/c1-6-9(10(13)18)21-8(16-6)4-15-11(19)7-5-17-3-2-14-12(17)20-7/h2-3,5H,4H2,1H3,(H2,13,18)(H,15,19)
InChIKeyGQOUHZNNFVHKPD-UHFFFAOYSA-N
XLogP1.19
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The IUPAC name of N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide (CID 167937856) is N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide.
What is the SMILES notation for N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The canonical SMILES for N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is Cc1nc(CNC(=O)c2cn3ccnc3s2)sc1C(N)=O.
What is the InChIKey of N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
The InChIKey is GQOUHZNNFVHKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2S2/c1-6-9(10(13)18)21-8(16-6)4-15-11(19)7-5-17-3-2-14-12(17)20-7/h2-3,5H,4H2,1H3,(H2,13,18)(H,15,19).
What are the key properties of N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide?
N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide has a molecular weight of 321.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-carbamoyl-4-methyl-1,3-thiazol-2-yl)methyl]imidazo[2,1-b][1,3]thiazole-2-carboxamide is sourced from PubChem (CID 167937856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).