4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide

C13H25N5OS — CID 116664063

IUPAC4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC(C)CCN(C)C)s1
InChIInChI=1S/C13H25N5OS/c1-5-7-15-13-17-11(14)10(20-13)12(19)16-9(2)6-8-18(3)4/h9H,5-8,14H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyFFHUESKXVUHJMK-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.62
Rot. Bonds8

About 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116664063) has the molecular formula C13H25N5OS and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116664063
Molecular FormulaC13H25N5OS
Molecular Weight299.44 g/mol
Exact Mass299.18
IUPAC Name4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NC(C)CCN(C)C)s1
InChIInChI=1S/C13H25N5OS/c1-5-7-15-13-17-11(14)10(20-13)12(19)16-9(2)6-8-18(3)4/h9H,5-8,14H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyFFHUESKXVUHJMK-UHFFFAOYSA-N
XLogP1.62
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116673320
4-amino-2-(2-methoxyethylamino)-N-(5-methylhexan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666462
4-amino-N-hex-1-yn-3-yl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 106233158
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-(1-methoxy-3-methylbutan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667180
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 102999162
4-amino-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-N-[1-(5-methylthiophen-2-yl)ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663820
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116667150

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116664063) is 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NC(C)CCN(C)C)s1.
What is the InChIKey of 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is FFHUESKXVUHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5OS/c1-5-7-15-13-17-11(14)10(20-13)12(19)16-9(2)6-8-18(3)4/h9H,5-8,14H2,1-4H3,(H,15,17)(H,16,19).
What are the key properties of 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).