4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

C11H20N4O3S — CID 106199056

IUPAC4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCOCC(CO)NC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C11H20N4O3S/c1-6(2)13-11-15-9(12)8(19-11)10(17)14-7(4-16)5-18-3/h6-7,16H,4-5,12H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyYBQWBERZSSQJKS-UHFFFAOYSA-N
MW288.37 g/mol
LogP0.28
Rot. Bonds7

About 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106199056) has the molecular formula C11H20N4O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
PubChem CID106199056
Molecular FormulaC11H20N4O3S
Molecular Weight288.37 g/mol
Exact Mass288.13
IUPAC Name4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
SMILESCOCC(CO)NC(=O)c1sc(NC(C)C)nc1N
InChIInChI=1S/C11H20N4O3S/c1-6(2)13-11-15-9(12)8(19-11)10(17)14-7(4-16)5-18-3/h6-7,16H,4-5,12H2,1-3H3,(H,13,15)(H,14,17)
InChIKeyYBQWBERZSSQJKS-UHFFFAOYSA-N
XLogP0.28
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-amino-N-(1-methoxypentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666894
4-amino-N-(3-methylpentan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663625
4-amino-N-(5-methylhexan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116666471
4-amino-N-methyl-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116667734
methyl 4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carboxylate
CID 116674032
4-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672819
4-amino-N-(6-methylheptan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663763
4-amino-N-ethyl-N-(1-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116664503
4-amino-N-(1-cyclopropylethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116669993
2-[[4-amino-2-(propan-2-ylamino)-1,3-thiazole-5-carbonyl]amino]ethyl carbamate
CID 116672206
4-amino-N-ethyl-N-(2-methoxyethyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663472
4-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116663859

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide (CID 106199056) is 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is COCC(CO)NC(=O)c1sc(NC(C)C)nc1N.
What is the InChIKey of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is YBQWBERZSSQJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3S/c1-6(2)13-11-15-9(12)8(19-11)10(17)14-7(4-16)5-18-3/h6-7,16H,4-5,12H2,1-3H3,(H,13,15)(H,14,17).
What are the key properties of 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 0.28, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-hydroxy-3-methoxypropan-2-yl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106199056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).