4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole

C14H19N3S — CID 115773628

IUPAC4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1c(C)nc2c1CCCC2
InChIInChI=1S/C14H19N3S/c1-10-14(18-9-15-10)7-8-17-11(2)16-12-5-3-4-6-13(12)17/h9H,3-8H2,1-2H3
InChIKeyVKBOWSNEKQVYDC-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.08
Rot. Bonds3

About 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole

4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole (PubChem CID 115773628) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole
PubChem CID115773628
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCn1c(C)nc2c1CCCC2
InChIInChI=1S/C14H19N3S/c1-10-14(18-9-15-10)7-8-17-11(2)16-12-5-3-4-6-13(12)17/h9H,3-8H2,1-2H3
InChIKeyVKBOWSNEKQVYDC-UHFFFAOYSA-N
XLogP3.08
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-tert-butylsulfonylethyl)-2-methyl-4,5,6,7-tetrahydrobenzimidazole
CID 103857979
4-methyl-5-(2-pyrrol-1-ylethyl)-1,3-thiazole
CID 63812266
5-[2-(2,9-dimethyl-1,3,4,5-tetrahydroazepino[4,3-b]indol-6-yl)ethyl]-4-methyl-1,3-thiazole
CID 58147006
2-amino-2-ethyl-5-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pentan-1-ol
CID 106810123
5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
CID 70095117
4-tert-butyl-2-[(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)methyl]-1,3-thiazole
CID 116626719
2-methyl-1-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydrobenzimidazole
CID 113343350
5-[2-(2,8-diazaspiro[5.5]undecan-2-yl)ethyl]-4-methyl-1,3-thiazole
CID 102850296
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione
CID 55239012
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole (CID 115773628) is 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole is Cc1ncsc1CCn1c(C)nc2c1CCCC2.
What is the InChIKey of 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole?
The InChIKey is VKBOWSNEKQVYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-14(18-9-15-10)7-8-17-11(2)16-12-5-3-4-6-13(12)17/h9H,3-8H2,1-2H3.
What are the key properties of 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole?
4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole has a molecular weight of 261.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 115773628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).