[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol

C11H18ClN3OS — CID 80692409

IUPAC[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN1CCCC(N(C)c2nc(Cl)c(CO)s2)C1
InChIInChI=1S/C11H18ClN3OS/c1-14-5-3-4-8(6-14)15(2)11-13-10(12)9(7-16)17-11/h8,16H,3-7H2,1-2H3
InChIKeyHFSRJTMOMIVTEJ-UHFFFAOYSA-N
MW275.81 g/mol
LogP1.82
Rot. Bonds3

About [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol

[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 80692409) has the molecular formula C11H18ClN3OS and a molecular weight of 275.81 g/mol. Its IUPAC name is [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID80692409
Molecular FormulaC11H18ClN3OS
Molecular Weight275.81 g/mol
Exact Mass275.09
IUPAC Name[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN1CCCC(N(C)c2nc(Cl)c(CO)s2)C1
InChIInChI=1S/C11H18ClN3OS/c1-14-5-3-4-8(6-14)15(2)11-13-10(12)9(7-16)17-11/h8,16H,3-7H2,1-2H3
InChIKeyHFSRJTMOMIVTEJ-UHFFFAOYSA-N
XLogP1.82
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.81
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol 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

[2-[methyl-(1-methylpiperidin-3-yl)amino]-4-propyl-1,3-thiazol-5-yl]methanol
CID 62779327
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 63917164
N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-4-propan-2-yl-1,3-thiazol-2-amine
CID 79395531
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62768533
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 107509926
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768706
[4-chloro-2-[cyclopentyl(ethyl)amino]-1,3-thiazol-5-yl]methanol
CID 80692298
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62768705
5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 64623703
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 62547867
5,5-dimethyl-2-[methyl-(1-methylpiperidin-3-yl)amino]-6,7-dihydro-4H-1,3-benzothiazol-7-ol
CID 62752486
3,6-dichloro-N-methyl-N-(1-methylpiperidin-3-yl)-1,2,4-triazin-5-amine
CID 81036366

Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol (CID 80692409) is [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol is CN1CCCC(N(C)c2nc(Cl)c(CO)s2)C1.
What is the InChIKey of [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is HFSRJTMOMIVTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3OS/c1-14-5-3-4-8(6-14)15(2)11-13-10(12)9(7-16)17-11/h8,16H,3-7H2,1-2H3.
What are the key properties of [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol?
[4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 275.81 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-[methyl-(1-methylpiperidin-3-yl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 80692409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).