3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide

C11H19N5OS — CID 114133625

IUPAC3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
SMILESCC(CNc1snc(N)c1C(N)=O)N(C)C1CC1
InChIInChI=1S/C11H19N5OS/c1-6(16(2)7-3-4-7)5-14-11-8(10(13)17)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H2,13,17)
InChIKeyXEJOZKHUAAJISP-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.72
Rot. Bonds6

About 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide

3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide (PubChem CID 114133625) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
PubChem CID114133625
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
SMILESCC(CNc1snc(N)c1C(N)=O)N(C)C1CC1
InChIInChI=1S/C11H19N5OS/c1-6(16(2)7-3-4-7)5-14-11-8(10(13)17)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H2,13,17)
InChIKeyXEJOZKHUAAJISP-UHFFFAOYSA-N
XLogP0.72
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide
CID 103380080
3-amino-5-(2,2-dimethylhydrazinyl)-1,2-thiazole-4-carboxamide
CID 103383737
3-amino-5-(2,2-dicyclopropylethylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103378938
3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 106174673
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103379243
3-amino-5-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-1,2-thiazole-4-carboxamide
CID 103383966
3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
CID 114112760
3-amino-5-(2-ethylbutylamino)-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103384495
3-amino-5-[(2-methylcyclopentyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 107421532
ethyl 3-amino-5-[(3-amino-2-hydroxy-3-oxopropyl)amino]-1,2-thiazole-4-carboxylate
CID 106174655

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide (CID 114133625) is 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide is CC(CNc1snc(N)c1C(N)=O)N(C)C1CC1.
What is the InChIKey of 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is XEJOZKHUAAJISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-6(16(2)7-3-4-7)5-14-11-8(10(13)17)9(12)15-18-11/h6-7,14H,3-5H2,1-2H3,(H2,12,15)(H2,13,17).
What are the key properties of 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 114133625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).