4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole

C14H21N5S — CID 56778657

IUPAC4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nccn3C)CC2C)n1
InChIInChI=1S/C14H21N5S/c1-11-10-20-14(16-11)19-7-6-18(8-12(19)2)9-13-15-4-5-17(13)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyXHWPTVKCMOPHIW-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.90
Rot. Bonds3

About 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole

4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole (PubChem CID 56778657) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
PubChem CID56778657
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
SMILESCc1csc(N2CCN(Cc3nccn3C)CC2C)n1
InChIInChI=1S/C14H21N5S/c1-11-10-20-14(16-11)19-7-6-18(8-12(19)2)9-13-15-4-5-17(13)3/h4-5,10,12H,6-9H2,1-3H3
InChIKeyXHWPTVKCMOPHIW-UHFFFAOYSA-N
XLogP1.90
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
CID 53498805
N-methyl-N-[4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53552959
4-Methyl-2-[2-methyl-4-(1,3-thiazol-4-ylmethyl)piperazin-1-yl]-1,3-thiazole
CID 53616115
1-(3-methyl-2-buten-1-yl)-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70734501
N-[(1-methylimidazol-2-yl)methyl]-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propan-1-amine
CID 71868809
4-Methyl-2-(3-pyrrolidin-1-ylpyrazin-2-yl)sulfanyl-1,3-thiazole
CID 172435670
3-Methylimidazo[2,1-b]thiazole
CID 19964830
4-(1-methyl-1H-imidazol-2-yl)-1,3-thiazol-2-amine
CID 71683819
3-(1-isopropyl-1H-imidazol-2-yl)-1-(1,3-thiazol-4-ylmethyl)piperidine
CID 72847349
N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)ethanamine
CID 75432137
N-[(1-propyl-1H-imidazol-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
CID 77084707
N-methyl-4-({methyl[2-(2-methyl-1H-imidazol-1-yl)ethyl]amino}methyl)-1,3-thiazol-2-amine
CID 91829447

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole (CID 56778657) is 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole is Cc1csc(N2CCN(Cc3nccn3C)CC2C)n1.
What is the InChIKey of 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
The InChIKey is XHWPTVKCMOPHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-11-10-20-14(16-11)19-7-6-18(8-12(19)2)9-13-15-4-5-17(13)3/h4-5,10,12H,6-9H2,1-3H3.
What are the key properties of 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole?
4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole has a molecular weight of 291.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 56778657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).