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

C11H20N2S2 — CID 82435579

IUPAC[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
SMILESCCN(CC)c1nc(C(C)C)c(CS)s1
InChIInChI=1S/C11H20N2S2/c1-5-13(6-2)11-12-10(8(3)4)9(7-14)15-11/h8,14H,5-7H2,1-4H3
InChIKeyQZEALKGIMSCRTF-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.54
Rot. Bonds5

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

[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol (PubChem CID 82435579) has the molecular formula C11H20N2S2 and a molecular weight of 244.43 g/mol. Its IUPAC name is [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol.

Molecular Properties

Compound Name[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
PubChem CID82435579
Molecular FormulaC11H20N2S2
Molecular Weight244.43 g/mol
Exact Mass244.11
IUPAC Name[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
SMILESCCN(CC)c1nc(C(C)C)c(CS)s1
InChIInChI=1S/C11H20N2S2/c1-5-13(6-2)11-12-10(8(3)4)9(7-14)15-11/h8,14H,5-7H2,1-4H3
InChIKeyQZEALKGIMSCRTF-UHFFFAOYSA-N
XLogP3.54
TPSA16.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(tert-butylamino)methyl]-N-ethyl-N-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382199
1-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]ethanone
CID 82435586
[2-(2-methylpropyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol
CID 82434602
5-(aminomethyl)-N-ethyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79396248
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 79382131
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 107402319
5-(ethylaminomethyl)-N-methyl-N,4-di(propan-2-yl)-1,3-thiazol-2-amine
CID 79395786
[2-[methyl(propan-2-yl)amino]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79393490
N-(cyclopropylmethyl)-4-propan-2-yl-5-[(propan-2-ylamino)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79380658
(E)-3-[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82435587
N-butan-2-yl-N-ethyl-5-(ethylaminomethyl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396441
2-N-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191924

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The IUPAC name of [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol (CID 82435579) is [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol.
What is the SMILES notation for [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The canonical SMILES for [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol is CCN(CC)c1nc(C(C)C)c(CS)s1.
What is the InChIKey of [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
The InChIKey is QZEALKGIMSCRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S2/c1-5-13(6-2)11-12-10(8(3)4)9(7-14)15-11/h8,14H,5-7H2,1-4H3.
What are the key properties of [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol?
[2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol has a molecular weight of 244.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-4-propan-2-yl-1,3-thiazol-5-yl]methanethiol is sourced from PubChem (CID 82435579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).