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

C10H17N5OS — CID 103380080

IUPAC3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide
SMILESCN(CCNc1snc(N)c1C(N)=O)C1CC1
InChIInChI=1S/C10H17N5OS/c1-15(6-2-3-6)5-4-13-10-7(9(12)16)8(11)14-17-10/h6,13H,2-5H2,1H3,(H2,11,14)(H2,12,16)
InChIKeyBFROCPUSTGBCIY-UHFFFAOYSA-N
MW255.35 g/mol
LogP0.33
Rot. Bonds6

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

3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103380080) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide
PubChem CID103380080
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide
SMILESCN(CCNc1snc(N)c1C(N)=O)C1CC1
InChIInChI=1S/C10H17N5OS/c1-15(6-2-3-6)5-4-13-10-7(9(12)16)8(11)14-17-10/h6,13H,2-5H2,1H3,(H2,11,14)(H2,12,16)
InChIKeyBFROCPUSTGBCIY-UHFFFAOYSA-N
XLogP0.33
TPSA97.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-5-[2-[cyclopropyl(methyl)amino]propylamino]-1,2-thiazole-4-carboxamide
CID 114133625
4-cyclopropyl-5-N-[2-[cyclopropyl(methyl)amino]ethyl]-1,2-thiazole-3,5-diamine
CID 103361091
3-amino-5-(2-ethylsulfonylethylamino)-1,2-thiazole-4-carboxamide
CID 114112760
3-amino-5-(2,2-dimethylhydrazinyl)-1,2-thiazole-4-carboxamide
CID 103383737
3-amino-5-(2-hydroxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382889
methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate
CID 103382318
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103379243
3-amino-5-(2-methylbutylamino)-1,2-thiazole-4-carboxamide
CID 103380049
3-amino-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380065
3-amino-5-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]-1,2-thiazole-4-carboxamide
CID 103384104

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide (CID 103380080) is 3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide is CN(CCNc1snc(N)c1C(N)=O)C1CC1.
What is the InChIKey of 3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is BFROCPUSTGBCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-15(6-2-3-6)5-4-13-10-7(9(12)16)8(11)14-17-10/h6,13H,2-5H2,1H3,(H2,11,14)(H2,12,16).
What are the key properties of 3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide?
3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 255.35 g/mol, XLogP of 0.33, 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]ethylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103380080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).