3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol

C11H14N2OS2 — CID 170875141

IUPAC3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
SMILESCc1nc(-c2ccc(C(N)CCO)s2)cs1
InChIInChI=1S/C11H14N2OS2/c1-7-13-9(6-15-7)11-3-2-10(16-11)8(12)4-5-14/h2-3,6,8,14H,4-5,12H2,1H3
InChIKeyPAXDTRUNIRKFFS-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.56
Rot. Bonds4

About 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol

3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol (PubChem CID 170875141) has the molecular formula C11H14N2OS2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
PubChem CID170875141
Molecular FormulaC11H14N2OS2
Molecular Weight254.38 g/mol
Exact Mass254.05
IUPAC Name3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol
SMILESCc1nc(-c2ccc(C(N)CCO)s2)cs1
InChIInChI=1S/C11H14N2OS2/c1-7-13-9(6-15-7)11-3-2-10(16-11)8(12)4-5-14/h2-3,6,8,14H,4-5,12H2,1H3
InChIKeyPAXDTRUNIRKFFS-UHFFFAOYSA-N
XLogP2.56
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol (CID 170875141) is 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol is Cc1nc(-c2ccc(C(N)CCO)s2)cs1.
What is the InChIKey of 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol?
The InChIKey is PAXDTRUNIRKFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2OS2/c1-7-13-9(6-15-7)11-3-2-10(16-11)8(12)4-5-14/h2-3,6,8,14H,4-5,12H2,1H3.
What are the key properties of 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol?
3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol has a molecular weight of 254.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]propan-1-ol is sourced from PubChem (CID 170875141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).