(6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine

C14H15F3N4S — CID 164639461

IUPAC(6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCc1ncc2c(n1)CC[C@H](NCc1csc(C(F)(F)F)n1)C2
InChIInChI=1S/C14H15F3N4S/c1-8-18-5-9-4-10(2-3-12(9)20-8)19-6-11-7-22-13(21-11)14(15,16)17/h5,7,10,19H,2-4,6H2,1H3/t10-/m0/s1
InChIKeyGAIMRZFIKOSJER-JTQLQIEISA-N
MW328.36 g/mol
LogP2.91
Rot. Bonds3

About (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine

(6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine (PubChem CID 164639461) has the molecular formula C14H15F3N4S and a molecular weight of 328.36 g/mol. Its IUPAC name is (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine.

Molecular Properties

Compound Name(6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine
PubChem CID164639461
Molecular FormulaC14H15F3N4S
Molecular Weight328.36 g/mol
Exact Mass328.10
IUPAC Name(6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCc1ncc2c(n1)CC[C@H](NCc1csc(C(F)(F)F)n1)C2
InChIInChI=1S/C14H15F3N4S/c1-8-18-5-9-4-10(2-3-12(9)20-8)19-6-11-7-22-13(21-11)14(15,16)17/h5,7,10,19H,2-4,6H2,1H3/t10-/m0/s1
InChIKeyGAIMRZFIKOSJER-JTQLQIEISA-N
XLogP2.91
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine?
The IUPAC name of (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine (CID 164639461) is (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine.
What is the SMILES notation for (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine?
The canonical SMILES for (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine is Cc1ncc2c(n1)CC[C@H](NCc1csc(C(F)(F)F)n1)C2.
What is the InChIKey of (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine?
The InChIKey is GAIMRZFIKOSJER-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15F3N4S/c1-8-18-5-9-4-10(2-3-12(9)20-8)19-6-11-7-22-13(21-11)14(15,16)17/h5,7,10,19H,2-4,6H2,1H3/t10-/m0/s1.
What are the key properties of (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine?
(6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine has a molecular weight of 328.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-methyl-N-[[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-5,6,7,8-tetrahydroquinazolin-6-amine is sourced from PubChem (CID 164639461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).