4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

C11H20N4O2S — CID 116667150

IUPAC4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCC(C)CO)s1
InChIInChI=1S/C11H20N4O2S/c1-3-4-13-11-15-9(12)8(18-11)10(17)14-5-7(2)6-16/h7,16H,3-6,12H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyMPTZNBGVENVJDE-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.91
Rot. Bonds7

About 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116667150) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
PubChem CID116667150
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
SMILESCCCNc1nc(N)c(C(=O)NCC(C)CO)s1
InChIInChI=1S/C11H20N4O2S/c1-3-4-13-11-15-9(12)8(18-11)10(17)14-5-7(2)6-16/h7,16H,3-6,12H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyMPTZNBGVENVJDE-UHFFFAOYSA-N
XLogP0.91
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(4-hydroxy-2-methylbutyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671133
4-amino-2-(propylamino)-N-(2,3,3-trimethylbutyl)-1,3-thiazole-5-carboxamide
CID 116672287
4-amino-N-(5-methylhexyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671828
4-amino-N-hexyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116666768
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-N-prop-2-enyl-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116674069
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116669756
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665515
4-amino-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116673320
4-amino-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 114759729
4-amino-N-(2-butoxyethyl)-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116664892
4-amino-2-(ethylamino)-N-(2-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 102702187

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide (CID 116667150) is 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is CCCNc1nc(N)c(C(=O)NCC(C)CO)s1.
What is the InChIKey of 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is MPTZNBGVENVJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-3-4-13-11-15-9(12)8(18-11)10(17)14-5-7(2)6-16/h7,16H,3-6,12H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 272.37 g/mol, XLogP of 0.91, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-hydroxy-2-methylpropyl)-2-(propylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116667150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).