1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

C15H24N4O2S — CID 56826154

IUPAC1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C15H24N4O2S/c1-12-13(22-11-18-12)10-17-15(21)16-7-6-14(20)19-8-4-2-3-5-9-19/h11H,2-10H2,1H3,(H2,16,17,21)
InChIKeySMAZSGKINXZNNP-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.04
Rot. Bonds5

About 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 56826154) has the molecular formula C15H24N4O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID56826154
Molecular FormulaC15H24N4O2S
Molecular Weight324.45 g/mol
Exact Mass324.16
IUPAC Name1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCc1ncsc1CNC(=O)NCCC(=O)N1CCCCCC1
InChIInChI=1S/C15H24N4O2S/c1-12-13(22-11-18-12)10-17-15(21)16-7-6-14(20)19-8-4-2-3-5-9-19/h11H,2-10H2,1H3,(H2,16,17,21)
InChIKeySMAZSGKINXZNNP-UHFFFAOYSA-N
XLogP2.04
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea 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

1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 119115606
4-(cyclopropanecarbonyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4-diazepane-1-carboxamide
CID 86802855
1-(5-methyl-2-pyridinyl)-3-(3-oxo-3-piperidin-1-ylpropyl)urea
CID 86788679
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(3,5-dimethoxyphenyl)methyl]urea
CID 51129446
1-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 136529761
1-[3-(azepan-1-yl)-3-oxopropyl]-3-(1,3-oxazol-2-yl)urea
CID 91650594
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(2-methoxyphenyl)methyl]urea
CID 52810254
N-[(4-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 131203570
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
1-(3-ethyl-2-hydroxypentyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111115235

Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea (CID 56826154) is 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is Cc1ncsc1CNC(=O)NCCC(=O)N1CCCCCC1.
What is the InChIKey of 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is SMAZSGKINXZNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2S/c1-12-13(22-11-18-12)10-17-15(21)16-7-6-14(20)19-8-4-2-3-5-9-19/h11H,2-10H2,1H3,(H2,16,17,21).
What are the key properties of 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea?
1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 324.45 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)-3-oxopropyl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 56826154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).