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

C15H19N5S — CID 133298967

IUPAC2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
SMILESc1cc(N2CCCN(c3nccs3)CC2)nc(C2CC2)n1
InChIInChI=1S/C15H19N5S/c1-7-19(9-10-20(8-1)15-17-6-11-21-15)13-4-5-16-14(18-13)12-2-3-12/h4-6,11-12H,1-3,7-10H2
InChIKeyQRTOUUQIAUFTNS-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.53
Rot. Bonds3

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

2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole (PubChem CID 133298967) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
PubChem CID133298967
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
SMILESc1cc(N2CCCN(c3nccs3)CC2)nc(C2CC2)n1
InChIInChI=1S/C15H19N5S/c1-7-19(9-10-20(8-1)15-17-6-11-21-15)13-4-5-16-14(18-13)12-2-3-12/h4-6,11-12H,1-3,7-10H2
InChIKeyQRTOUUQIAUFTNS-UHFFFAOYSA-N
XLogP2.53
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-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]-4-methyl-1,3-thiazole
CID 133298683
3-cyclopropyl-5-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-1,2,4-thiadiazole
CID 75375798
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 154830384
4-[4-(2-chlorophenyl)piperazin-1-yl]-2-cyclopropylpyrimidine
CID 171327094
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
2-[[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 139000453
2-cyclopropyl-4-[4-(6-pyrazol-1-yl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 163356852
2-tert-butyl-6-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]imidazo[1,2-b]pyridazine
CID 163350672
N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide
CID 129339680

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole?
The IUPAC name of 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole (CID 133298967) is 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole.
What is the SMILES notation for 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole?
The canonical SMILES for 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole is c1cc(N2CCCN(c3nccs3)CC2)nc(C2CC2)n1.
What is the InChIKey of 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole?
The InChIKey is QRTOUUQIAUFTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-7-19(9-10-20(8-1)15-17-6-11-21-15)13-4-5-16-14(18-13)12-2-3-12/h4-6,11-12H,1-3,7-10H2.
What are the key properties of 2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole?
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole has a molecular weight of 301.42 g/mol, XLogP of 2.53, 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]-1,3-thiazole is sourced from PubChem (CID 133298967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).