1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide

C12H17N5OS — CID 107497913

IUPAC1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cn(CCN)cn2)n1
InChIInChI=1S/C12H17N5OS/c1-8(2)10-6-19-12(15-10)16-11(18)9-5-17(4-3-13)7-14-9/h5-8H,3-4,13H2,1-2H3,(H,15,16,18)
InChIKeyXSGNQTTZLAKAHN-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.67
Rot. Bonds5

About 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide

1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide (PubChem CID 107497913) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
PubChem CID107497913
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide
SMILESCC(C)c1csc(NC(=O)c2cn(CCN)cn2)n1
InChIInChI=1S/C12H17N5OS/c1-8(2)10-6-19-12(15-10)16-11(18)9-5-17(4-3-13)7-14-9/h5-8H,3-4,13H2,1-2H3,(H,15,16,18)
InChIKeyXSGNQTTZLAKAHN-UHFFFAOYSA-N
XLogP1.67
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide (CID 107497913) is 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide is CC(C)c1csc(NC(=O)c2cn(CCN)cn2)n1.
What is the InChIKey of 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide?
The InChIKey is XSGNQTTZLAKAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8(2)10-6-19-12(15-10)16-11(18)9-5-17(4-3-13)7-14-9/h5-8H,3-4,13H2,1-2H3,(H,15,16,18).
What are the key properties of 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)imidazole-4-carboxamide is sourced from PubChem (CID 107497913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).