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

C11H15N5OS2 — CID 116666932

IUPAC4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1sc(NC)nc1N)c1nccs1
InChIInChI=1S/C11H15N5OS2/c1-3-6(10-14-4-5-18-10)15-9(17)7-8(12)16-11(13-2)19-7/h4-6H,3,12H2,1-2H3,(H,13,16)(H,15,17)
InChIKeyCUERZRAUQOZYOL-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.10
Rot. Bonds5

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

4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 116666932) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
PubChem CID116666932
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
SMILESCCC(NC(=O)c1sc(NC)nc1N)c1nccs1
InChIInChI=1S/C11H15N5OS2/c1-3-6(10-14-4-5-18-10)15-9(17)7-8(12)16-11(13-2)19-7/h4-6H,3,12H2,1-2H3,(H,13,16)(H,15,17)
InChIKeyCUERZRAUQOZYOL-UHFFFAOYSA-N
XLogP2.10
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-hexan-3-yl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116665199
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 66389189
5-(ethylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,4-thiadiazole-2-carboxamide
CID 80616520
4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide
CID 125436740
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
5-amino-2,3-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 107185291
4-amino-2-(methylamino)-N-octan-4-yl-1,3-thiazole-5-carboxamide
CID 106029168
4-amino-2-[methyl(propyl)amino]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116666945
5-chloro-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 114923771
5-amino-2-fluoro-3-methyl-N-[1-(1,3-thiazol-2-yl)propyl]benzamide
CID 103296531
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
4-amino-N-[1-(4-methoxyphenyl)ethyl]-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671117

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide (CID 116666932) is 4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide is CCC(NC(=O)c1sc(NC)nc1N)c1nccs1.
What is the InChIKey of 4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CUERZRAUQOZYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-3-6(10-14-4-5-18-10)15-9(17)7-8(12)16-11(13-2)19-7/h4-6H,3,12H2,1-2H3,(H,13,16)(H,15,17).
What are the key properties of 4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 297.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).