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

C16H21N5S — CID 133298683

IUPAC2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCCN(c3ccnc(C4CC4)n3)CC2)n1
InChIInChI=1S/C16H21N5S/c1-12-11-22-16(18-12)21-8-2-7-20(9-10-21)14-5-6-17-15(19-14)13-3-4-13/h5-6,11,13H,2-4,7-10H2,1H3
InChIKeyPQEVZOJKSFNXDV-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.84
Rot. Bonds3

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

2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole (PubChem CID 133298683) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
PubChem CID133298683
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC Name2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole
SMILESCc1csc(N2CCCN(c3ccnc(C4CC4)n3)CC2)n1
InChIInChI=1S/C16H21N5S/c1-12-11-22-16(18-12)21-8-2-7-20(9-10-21)14-5-6-17-15(19-14)13-3-4-13/h5-6,11,13H,2-4,7-10H2,1H3
InChIKeyPQEVZOJKSFNXDV-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole 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

4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133298967
4-methyl-2-[4-[2-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-1,3-thiazole
CID 68936225
4-methyl-2-(4-pyrazin-2-yl-1,4-diazepan-1-yl)-1,3-thiazole
CID 133272186
2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 139000453
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine
CID 171327094
2-tert-butyl-6-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350672
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133300182
N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide
CID 129339680
N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
CID 128996001
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole (CID 133298683) is 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole is Cc1csc(N2CCCN(c3ccnc(C4CC4)n3)CC2)n1.
What is the InChIKey of 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole?
The InChIKey is PQEVZOJKSFNXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-12-11-22-16(18-12)21-8-2-7-20(9-10-21)14-5-6-17-15(19-14)13-3-4-13/h5-6,11,13H,2-4,7-10H2,1H3.
What are the key properties of 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole?
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole has a molecular weight of 315.45 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 133298683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).