3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide

C13H23N5OS — CID 103379369

IUPAC3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
SMILESCN(C)CCCCNc1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H23N5OS/c1-18(2)8-4-3-7-15-13-10(11(14)17-20-13)12(19)16-9-5-6-9/h9,15H,3-8H2,1-2H3,(H2,14,17)(H,16,19)
InChIKeyAWRDJMVJGMZYBI-UHFFFAOYSA-N
MW297.43 g/mol
LogP1.37
Rot. Bonds8

About 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide (PubChem CID 103379369) has the molecular formula C13H23N5OS and a molecular weight of 297.43 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
PubChem CID103379369
Molecular FormulaC13H23N5OS
Molecular Weight297.43 g/mol
Exact Mass297.16
IUPAC Name3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
SMILESCN(C)CCCCNc1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C13H23N5OS/c1-18(2)8-4-3-7-15-13-10(11(14)17-20-13)12(19)16-9-5-6-9/h9,15H,3-8H2,1-2H3,(H2,14,17)(H,16,19)
InChIKeyAWRDJMVJGMZYBI-UHFFFAOYSA-N
XLogP1.37
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
CID 103384184
3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
CID 114267278
3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
CID 103380138
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
methyl 3-amino-5-[2-(dimethylamino)ethylamino]-1,2-thiazole-4-carboxylate
CID 103382318
3-amino-N-cyclopropyl-5-[3-hydroxypropyl(methyl)amino]-1,2-thiazole-4-carboxamide
CID 114231035
3-amino-N-cyclopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380199
3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103378645
3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103384003
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-amino-5-[2-[cyclopropyl(methyl)amino]ethylamino]-1,2-thiazole-4-carboxamide
CID 103380080

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide (CID 103379369) is 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide is CN(C)CCCCNc1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide?
The InChIKey is AWRDJMVJGMZYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5OS/c1-18(2)8-4-3-7-15-13-10(11(14)17-20-13)12(19)16-9-5-6-9/h9,15H,3-8H2,1-2H3,(H2,14,17)(H,16,19).
What are the key properties of 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide has a molecular weight of 297.43 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103379369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).