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

C14H27N5OS — CID 102999162

IUPAC4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)N(CC)CCCN(C)C)s1
InChIInChI=1S/C14H27N5OS/c1-5-8-16-14-17-12(15)11(21-14)13(20)19(6-2)10-7-9-18(3)4/h5-10,15H2,1-4H3,(H,16,17)
InChIKeyGNSKBAMSTKTJSN-UHFFFAOYSA-N
MW313.47 g/mol
LogP1.96
Rot. Bonds9

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

4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 102999162) has the molecular formula C14H27N5OS and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID102999162
Molecular FormulaC14H27N5OS
Molecular Weight313.47 g/mol
Exact Mass313.19
IUPAC Name4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)N(CC)CCCN(C)C)s1
InChIInChI=1S/C14H27N5OS/c1-5-8-16-14-17-12(15)11(21-14)13(20)19(6-2)10-7-9-18(3)4/h5-10,15H2,1-4H3,(H,16,17)
InChIKeyGNSKBAMSTKTJSN-UHFFFAOYSA-N
XLogP1.96
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116663250
4-amino-N-butyl-2-(tert-butylamino)-N-ethyl-1,3-thiazole-5-carboxamide
CID 116668319
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-2-(tert-butylamino)-N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 116673353
4-amino-N-[4-(dimethylamino)butan-2-yl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664063
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
propyl 4-amino-2-(propylamino)-1,3-thiazole-5-carboxylate
CID 116674050
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-N-ethyl-2-(ethylamino)-N-(2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 116671241
4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669628
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-ethyl-2-(2-methoxyethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116669398

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 102999162) is 4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)N(CC)CCCN(C)C)s1.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is GNSKBAMSTKTJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5OS/c1-5-8-16-14-17-12(15)11(21-14)13(20)19(6-2)10-7-9-18(3)4/h5-10,15H2,1-4H3,(H,16,17).
What are the key properties of 4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)propyl]-N-ethyl-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 102999162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).