2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole

C15H21N5S — CID 91828569

IUPAC2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
SMILESCc1nc(CCN2CCCN(c3ncccn3)CC2)cs1
InChIInChI=1S/C15H21N5S/c1-13-18-14(12-21-13)4-9-19-7-3-8-20(11-10-19)15-16-5-2-6-17-15/h2,5-6,12H,3-4,7-11H2,1H3
InChIKeyVDIOWGXTOIJDBR-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.00
Rot. Bonds4

About 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole

2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole (PubChem CID 91828569) has the molecular formula C15H21N5S and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
PubChem CID91828569
Molecular FormulaC15H21N5S
Molecular Weight303.43 g/mol
Exact Mass303.15
IUPAC Name2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole
SMILESCc1nc(CCN2CCCN(c3ncccn3)CC2)cs1
InChIInChI=1S/C15H21N5S/c1-13-18-14(12-21-13)4-9-19-7-3-8-20(11-10-19)15-16-5-2-6-17-15/h2,5-6,12H,3-4,7-11H2,1H3
InChIKeyVDIOWGXTOIJDBR-UHFFFAOYSA-N
XLogP2.00
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111933247
2-methyl-4-(2-piperazin-1-ylethyl)-1,3-thiazole
CID 82065439
4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]thieno[3,2-d]pyrimidine
CID 146124392
4-[2-(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)ethyl]-2-methyl-1,3-thiazole
CID 91834184
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 109425010
2-methyl-5-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3,4-thiadiazole
CID 118773241
1-[4-[4-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]piperazin-1-yl]phenyl]ethanone
CID 91835458
2-methyl-4-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethyl]-1,3-thiazole
CID 129059210
1-[(6-methyl-2-pyridinyl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 95811450
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 106045268
4-[2-(6-azaspiro[3.4]octan-6-yl)ethyl]-2-methyl-1,3-thiazole
CID 100903513

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole (CID 91828569) is 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole is Cc1nc(CCN2CCCN(c3ncccn3)CC2)cs1.
What is the InChIKey of 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole?
The InChIKey is VDIOWGXTOIJDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-13-18-14(12-21-13)4-9-19-7-3-8-20(11-10-19)15-16-5-2-6-17-15/h2,5-6,12H,3-4,7-11H2,1H3.
What are the key properties of 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole?
2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole has a molecular weight of 303.43 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 91828569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).