3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

C13H22N4O3S — CID 106103737

IUPAC3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC1(O)CCOC1C
InChIInChI=1S/C13H22N4O3S/c1-7(2)16-11(18)9-10(14)17-21-12(9)15-6-13(19)4-5-20-8(13)3/h7-8,15,19H,4-6H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeyFGEPITOVUVFDDJ-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.82
Rot. Bonds5

About 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide

3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (PubChem CID 106103737) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
PubChem CID106103737
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
SMILESCC(C)NC(=O)c1c(N)nsc1NCC1(O)CCOC1C
InChIInChI=1S/C13H22N4O3S/c1-7(2)16-11(18)9-10(14)17-21-12(9)15-6-13(19)4-5-20-8(13)3/h7-8,15,19H,4-6H2,1-3H3,(H2,14,17)(H,16,18)
InChIKeyFGEPITOVUVFDDJ-UHFFFAOYSA-N
XLogP0.82
TPSA109.50 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide (CID 106103737) is 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is CC(C)NC(=O)c1c(N)nsc1NCC1(O)CCOC1C.
What is the InChIKey of 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
The InChIKey is FGEPITOVUVFDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-7(2)16-11(18)9-10(14)17-21-12(9)15-6-13(19)4-5-20-8(13)3/h7-8,15,19H,4-6H2,1-3H3,(H2,14,17)(H,16,18).
What are the key properties of 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide?
3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.82, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 106103737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).