4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide

C14H25N5OS — CID 116666308

IUPAC4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C14H25N5OS/c1-18(2)8-5-9-19(3)13(20)11-12(15)17-14(21-11)16-10-6-4-7-10/h10H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyIMOYKZHGMKNTAA-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.71
Rot. Bonds7

About 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide

4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116666308) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116666308
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1sc(NC2CCC2)nc1N
InChIInChI=1S/C14H25N5OS/c1-18(2)8-5-9-19(3)13(20)11-12(15)17-14(21-11)16-10-6-4-7-10/h10H,4-9,15H2,1-3H3,(H,16,17)
InChIKeyIMOYKZHGMKNTAA-UHFFFAOYSA-N
XLogP1.71
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-2-(cyclobutylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669863
4-amino-2-(cyclopropylamino)-N-[4-(dimethylamino)butyl]-1,3-thiazole-5-carboxamide
CID 116665016
ethyl 4-amino-2-(cyclobutylamino)-1,3-thiazole-5-carboxylate
CID 116674025
4-amino-2-(cyclobutylamino)-N-[2-[ethyl(methyl)amino]ethyl]-1,3-thiazole-5-carboxamide
CID 116665514
4-amino-2-(cyclobutylamino)-N-methyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 116663032
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-2-(cyclopropylamino)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671279
4-amino-2-(cyclobutylamino)-N-ethyl-N-(1-methoxypropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664505
4-amino-2-(cyclobutylamino)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,3-thiazole-5-carboxamide
CID 116672821
4-amino-2-(cyclobutylamino)-N-cyclopropyl-1,3-thiazole-5-carboxamide
CID 116667658
4-amino-2-(cyclobutylamino)-N-[(2-methylcyclopropyl)methyl]-1,3-thiazole-5-carboxamide
CID 116673037
4-amino-2-(cyclobutylamino)-N-[2-(ethylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 116670260

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide (CID 116666308) is 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide is CN(C)CCCN(C)C(=O)c1sc(NC2CCC2)nc1N.
What is the InChIKey of 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is IMOYKZHGMKNTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-18(2)8-5-9-19(3)13(20)11-12(15)17-14(21-11)16-10-6-4-7-10/h10H,4-9,15H2,1-3H3,(H,16,17).
What are the key properties of 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 311.46 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclobutylamino)-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116666308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).