[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

C13H17ClN2OS2 — CID 79393645

IUPAC[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)Cc2ccc(Cl)s2)sc1CO
InChIInChI=1S/C13H17ClN2OS2/c1-8(2)12-10(7-17)19-13(15-12)16(3)6-9-4-5-11(14)18-9/h4-5,8,17H,6-7H2,1-3H3
InChIKeyYZGLXZUYFJOVCU-UHFFFAOYSA-N
MW316.88 g/mol
LogP4.11
Rot. Bonds5

About [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol

[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (PubChem CID 79393645) has the molecular formula C13H17ClN2OS2 and a molecular weight of 316.88 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
PubChem CID79393645
Molecular FormulaC13H17ClN2OS2
Molecular Weight316.88 g/mol
Exact Mass316.05
IUPAC Name[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
SMILESCC(C)c1nc(N(C)Cc2ccc(Cl)s2)sc1CO
InChIInChI=1S/C13H17ClN2OS2/c1-8(2)12-10(7-17)19-13(15-12)16(3)6-9-4-5-11(14)18-9/h4-5,8,17H,6-7H2,1-3H3
InChIKeyYZGLXZUYFJOVCU-UHFFFAOYSA-N
XLogP4.11
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol (CID 79393645) is [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is CC(C)c1nc(N(C)Cc2ccc(Cl)s2)sc1CO.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
The InChIKey is YZGLXZUYFJOVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2OS2/c1-8(2)12-10(7-17)19-13(15-12)16(3)6-9-4-5-11(14)18-9/h4-5,8,17H,6-7H2,1-3H3.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol?
[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol has a molecular weight of 316.88 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 79393645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).