4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

C11H18F2N4O2S — CID 106174577

IUPAC4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C11H18F2N4O2S/c1-6(2)3-15-10-17-8(14)7(20-10)9(19)16-4-11(12,13)5-18/h6,18H,3-5,14H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyMGXVJNZNORYZRO-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.15
Rot. Bonds7

About 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (PubChem CID 106174577) has the molecular formula C11H18F2N4O2S and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
PubChem CID106174577
Molecular FormulaC11H18F2N4O2S
Molecular Weight308.35 g/mol
Exact Mass308.11
IUPAC Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide
SMILESCC(C)CNc1nc(N)c(C(=O)NCC(F)(F)CO)s1
InChIInChI=1S/C11H18F2N4O2S/c1-6(2)3-15-10-17-8(14)7(20-10)9(19)16-4-11(12,13)5-18/h6,18H,3-5,14H2,1-2H3,(H,15,17)(H,16,19)
InChIKeyMGXVJNZNORYZRO-UHFFFAOYSA-N
XLogP1.15
TPSA100.27 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide (CID 106174577) is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is CC(C)CNc1nc(N)c(C(=O)NCC(F)(F)CO)s1.
What is the InChIKey of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is MGXVJNZNORYZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4O2S/c1-6(2)3-15-10-17-8(14)7(20-10)9(19)16-4-11(12,13)5-18/h6,18H,3-5,14H2,1-2H3,(H,15,17)(H,16,19).
What are the key properties of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 308.35 g/mol, XLogP of 1.15, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-2-(2-methylpropylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106174577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).