4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

C13H24N4O2S — CID 116673876

IUPAC4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)N(C)CCC(C)O)s1
InChIInChI=1S/C13H24N4O2S/c1-8(2)7-15-13-16-11(14)10(20-13)12(19)17(4)6-5-9(3)18/h8-9,18H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyRWJKITWASPKPDS-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.64
Rot. Bonds7

About 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116673876) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
PubChem CID116673876
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC Name4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)N(C)CCC(C)O)s1
InChIInChI=1S/C13H24N4O2S/c1-8(2)7-15-13-16-11(14)10(20-13)12(19)17(4)6-5-9(3)18/h8-9,18H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyRWJKITWASPKPDS-UHFFFAOYSA-N
XLogP1.64
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-methyl-N-(3-methylbutan-2-yl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116670332
4-amino-N-(1-hydroxypropan-2-yl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116672484
4-amino-N-ethyl-N-(2-methylpropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669628
4-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116665523
4-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116664589
4-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666292
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664355
4-amino-N-cyclopropyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116667655
4-amino-N-(cyclopentylmethyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
CID 116669781
4-amino-N-(3-hydroxybutyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673878
4-amino-N-(2-amino-2-oxoethyl)-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669861

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (CID 116673876) is 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is CC(C)CNc1nc(N)c(C(=O)N(C)CCC(C)O)s1.
What is the InChIKey of 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is RWJKITWASPKPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-8(2)7-15-13-16-11(14)10(20-13)12(19)17(4)6-5-9(3)18/h8-9,18H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 300.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxybutyl)-N-methyl-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116673876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).