(2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine

C14H18N2S — CID 64715397

IUPAC(2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine
SMILESCCC(C)c1nc(CN)c(-c2ccccc2)s1
InChIInChI=1S/C14H18N2S/c1-3-10(2)14-16-12(9-15)13(17-14)11-7-5-4-6-8-11/h4-8,10H,3,9,15H2,1-2H3
InChIKeySBLUHVUPFLCTQN-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.78
Rot. Bonds4

About (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine

(2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine (PubChem CID 64715397) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine
PubChem CID64715397
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name(2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine
SMILESCCC(C)c1nc(CN)c(-c2ccccc2)s1
InChIInChI=1S/C14H18N2S/c1-3-10(2)14-16-12(9-15)13(17-14)11-7-5-4-6-8-11/h4-8,10H,3,9,15H2,1-2H3
InChIKeySBLUHVUPFLCTQN-UHFFFAOYSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine (CID 64715397) is (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine is CCC(C)c1nc(CN)c(-c2ccccc2)s1.
What is the InChIKey of (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is SBLUHVUPFLCTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-3-10(2)14-16-12(9-15)13(17-14)11-7-5-4-6-8-11/h4-8,10H,3,9,15H2,1-2H3.
What are the key properties of (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine?
(2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 246.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-5-phenyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 64715397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).