2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole

C17H29N3S — CID 129059210

IUPAC2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
SMILESCc1nc(CCN2CCC(C3CCN(C)CC3)CC2)cs1
InChIInChI=1S/C17H29N3S/c1-14-18-17(13-21-14)7-12-20-10-5-16(6-11-20)15-3-8-19(2)9-4-15/h13,15-16H,3-12H2,1-2H3
InChIKeyYXFHEQHSMCXJQM-UHFFFAOYSA-N
MW307.51 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole

2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole (PubChem CID 129059210) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
PubChem CID129059210
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC Name2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
SMILESCc1nc(CCN2CCC(C3CCN(C)CC3)CC2)cs1
InChIInChI=1S/C17H29N3S/c1-14-18-17(13-21-14)7-12-20-10-5-16(6-11-20)15-3-8-19(2)9-4-15/h13,15-16H,3-12H2,1-2H3
InChIKeyYXFHEQHSMCXJQM-UHFFFAOYSA-N
XLogP3.05
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanol
CID 103880843
[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106033345
4-[2-[4-(4-methoxyphenoxy)piperidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 29256300
N,3-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-amine
CID 106042299
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
5-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171914795
3-[1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 91842742
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
4-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 106043577
2-methyl-4-[2-(10-propan-2-yl-3-azaspiro[5.5]undecan-3-yl)ethyl]-1,3-thiazole
CID 155632192
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 106038848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole (CID 129059210) is 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole is Cc1nc(CCN2CCC(C3CCN(C)CC3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole?
The InChIKey is YXFHEQHSMCXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-14-18-17(13-21-14)7-12-20-10-5-16(6-11-20)15-3-8-19(2)9-4-15/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole?
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole has a molecular weight of 307.51 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 129059210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).