4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide

C13H19N5OS2 — CID 116666945

IUPAC4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NC(C)c2nccs2)s1
InChIInChI=1S/C13H19N5OS2/c1-4-6-18(3)13-17-10(14)9(21-13)11(19)16-8(2)12-15-5-7-20-12/h5,7-8H,4,6,14H2,1-3H3,(H,16,19)
InChIKeyIFGQLSTXKBACPI-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.52
Rot. Bonds6

About 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide

4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 116666945) has the molecular formula C13H19N5OS2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID116666945
Molecular FormulaC13H19N5OS2
Molecular Weight325.46 g/mol
Exact Mass325.10
IUPAC Name4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCCCN(C)c1nc(N)c(C(=O)NC(C)c2nccs2)s1
InChIInChI=1S/C13H19N5OS2/c1-4-6-18(3)13-17-10(14)9(21-13)11(19)16-8(2)12-15-5-7-20-12/h5,7-8H,4,6,14H2,1-3H3,(H,16,19)
InChIKeyIFGQLSTXKBACPI-UHFFFAOYSA-N
XLogP2.52
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 116666945) is 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is CCCN(C)c1nc(N)c(C(=O)NC(C)c2nccs2)s1.
What is the InChIKey of 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IFGQLSTXKBACPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS2/c1-4-6-18(3)13-17-10(14)9(21-13)11(19)16-8(2)12-15-5-7-20-12/h5,7-8H,4,6,14H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide?
4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).