(4-tert-butyl-1,3-thiazol-2-yl)methanamine

C8H14N2S — CID 4274577

IUPAC(4-tert-butyl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)(C)c1csc(CN)n1
InChIInChI=1S/C8H14N2S/c1-8(2,3)6-5-11-7(4-9)10-6/h5H,4,9H2,1-3H3
InChIKeyCOFQRTLOIPDNTM-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.90
Rot. Bonds1

About (4-tert-butyl-1,3-thiazol-2-yl)methanamine

(4-tert-butyl-1,3-thiazol-2-yl)methanamine (PubChem CID 4274577) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is (4-tert-butyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-tert-butyl-1,3-thiazol-2-yl)methanamine
PubChem CID4274577
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name(4-tert-butyl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)(C)c1csc(CN)n1
InChIInChI=1S/C8H14N2S/c1-8(2,3)6-5-11-7(4-9)10-6/h5H,4,9H2,1-3H3
InChIKeyCOFQRTLOIPDNTM-UHFFFAOYSA-N
XLogP1.90
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-tert-butyl-1,3-thiazol-2-yl)methanamine (CID 4274577) is (4-tert-butyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-tert-butyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-tert-butyl-1,3-thiazol-2-yl)methanamine is CC(C)(C)c1csc(CN)n1.
What is the InChIKey of (4-tert-butyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is COFQRTLOIPDNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-8(2,3)6-5-11-7(4-9)10-6/h5H,4,9H2,1-3H3.
What are the key properties of (4-tert-butyl-1,3-thiazol-2-yl)methanamine?
(4-tert-butyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 170.28 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 4274577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).