3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide

C12H20N4OS2 — CID 103384184

IUPAC3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
SMILESCSCCCCNc1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H20N4OS2/c1-18-7-3-2-6-14-12-9(10(13)16-19-12)11(17)15-8-4-5-8/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,17)
InChIKeyCNHZYMIPWJTKSV-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.17
Rot. Bonds8

About 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103384184) has the molecular formula C12H20N4OS2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
PubChem CID103384184
Molecular FormulaC12H20N4OS2
Molecular Weight300.45 g/mol
Exact Mass300.11
IUPAC Name3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
SMILESCSCCCCNc1snc(N)c1C(=O)NC1CC1
InChIInChI=1S/C12H20N4OS2/c1-18-7-3-2-6-14-12-9(10(13)16-19-12)11(17)15-8-4-5-8/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,17)
InChIKeyCNHZYMIPWJTKSV-UHFFFAOYSA-N
XLogP2.17
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.17
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-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
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
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-N,N-dimethyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-sulfonamide
CID 103365285
3-amino-5-(3-hydroxypropylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382715
3-amino-N-cyclopropyl-5-[(2-methylcyclopentyl)amino]-1,2-thiazole-4-carboxamide
CID 103380188

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide (CID 103384184) is 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide is CSCCCCNc1snc(N)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is CNHZYMIPWJTKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS2/c1-18-7-3-2-6-14-12-9(10(13)16-19-12)11(17)15-8-4-5-8/h8,14H,2-7H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of 3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 300.45 g/mol, XLogP of 2.17, 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-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103384184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).