(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone

C16H24N6OS — CID 29183099

IUPAC(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCCc1cn(C[C@H]2CCCN(C(=O)c3sc(N)nc3C)C2)nn1
InChIInChI=1S/C16H24N6OS/c1-3-5-13-10-22(20-19-13)9-12-6-4-7-21(8-12)15(23)14-11(2)18-16(17)24-14/h10,12H,3-9H2,1-2H3,(H2,17,18)/t12-/m0/s1
InChIKeyISFYHQIPWBHKIW-LBPRGKRZSA-N
MW348.48 g/mol
LogP2.13
Rot. Bonds5

About (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone

(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 29183099) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID29183099
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC Name(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCCCc1cn(C[C@H]2CCCN(C(=O)c3sc(N)nc3C)C2)nn1
InChIInChI=1S/C16H24N6OS/c1-3-5-13-10-22(20-19-13)9-12-6-4-7-21(8-12)15(23)14-11(2)18-16(17)24-14/h10,12H,3-9H2,1-2H3,(H2,17,18)/t12-/m0/s1
InChIKeyISFYHQIPWBHKIW-LBPRGKRZSA-N
XLogP2.13
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone (CID 29183099) is (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone is CCCc1cn(C[C@H]2CCCN(C(=O)c3sc(N)nc3C)C2)nn1.
What is the InChIKey of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is ISFYHQIPWBHKIW-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-3-5-13-10-22(20-19-13)9-12-6-4-7-21(8-12)15(23)14-11(2)18-16(17)24-14/h10,12H,3-9H2,1-2H3,(H2,17,18)/t12-/m0/s1.
What are the key properties of (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone?
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 348.48 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-1,3-thiazol-5-yl)-[(3S)-3-[(4-propyltriazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 29183099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).