1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide

C13H16N6OS — CID 64781178

IUPAC1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
SMILESCC(C)NCc1c(-n2ccc(C(N)=O)n2)nc2sccn12
InChIInChI=1S/C13H16N6OS/c1-8(2)15-7-10-12(16-13-18(10)5-6-21-13)19-4-3-9(17-19)11(14)20/h3-6,8,15H,7H2,1-2H3,(H2,14,20)
InChIKeySROLDNKMIBIJPA-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.18
Rot. Bonds5

About 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide

1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide (PubChem CID 64781178) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
PubChem CID64781178
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
SMILESCC(C)NCc1c(-n2ccc(C(N)=O)n2)nc2sccn12
InChIInChI=1S/C13H16N6OS/c1-8(2)15-7-10-12(16-13-18(10)5-6-21-13)19-4-3-9(17-19)11(14)20/h3-6,8,15H,7H2,1-2H3,(H2,14,20)
InChIKeySROLDNKMIBIJPA-UHFFFAOYSA-N
XLogP1.18
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide (CID 64781178) is 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide is CC(C)NCc1c(-n2ccc(C(N)=O)n2)nc2sccn12.
What is the InChIKey of 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
The InChIKey is SROLDNKMIBIJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-8(2)15-7-10-12(16-13-18(10)5-6-21-13)19-4-3-9(17-19)11(14)20/h3-6,8,15H,7H2,1-2H3,(H2,14,20).
What are the key properties of 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 64781178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).