[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol

C13H22N2S2 — CID 82435654

IUPAC[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
SMILESCC1CCN(c2nc(C(C)C)c(CS)s2)CC1
InChIInChI=1S/C13H22N2S2/c1-9(2)12-11(8-16)17-13(14-12)15-6-4-10(3)5-7-15/h9-10,16H,4-8H2,1-3H3
InChIKeyGIGCVUAYWAEYCS-UHFFFAOYSA-N
MW270.47 g/mol
LogP3.93
Rot. Bonds3

About [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol

[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol (PubChem CID 82435654) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
PubChem CID82435654
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Name[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
SMILESCC1CCN(c2nc(C(C)C)c(CS)s2)CC1
InChIInChI=1S/C13H22N2S2/c1-9(2)12-11(8-16)17-13(14-12)15-6-4-10(3)5-7-15/h9-10,16H,4-8H2,1-3H3
InChIKeyGIGCVUAYWAEYCS-UHFFFAOYSA-N
XLogP3.93
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381277
2-methyl-N-[[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 79381275
N-[[2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]ethanamine
CID 79393593
2-(4-methylazepan-1-yl)-4-propan-2-yl-1,3-thiazole-5-carbaldehyde
CID 79393043
N-[[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63917905
N-methyl-1-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764135
N-[(4-propan-2-yl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]cyclopentanamine
CID 82435595
[2-(4-tert-butylazepan-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396966
[2-(4,4-dimethylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79393371
N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79396238
N-[[2-(3-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 79395879
(4-propan-2-yl-2-thiomorpholin-4-yl-1,3-thiazol-5-yl)methanamine
CID 79395608

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol (CID 82435654) is [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol is CC1CCN(c2nc(C(C)C)c(CS)s2)CC1.
What is the InChIKey of [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The InChIKey is GIGCVUAYWAEYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-9(2)12-11(8-16)17-13(14-12)15-6-4-10(3)5-7-15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
[2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol has a molecular weight of 270.47 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82435654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).