1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea

C10H17N3OS — CID 103697870

IUPAC1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCCN(CC)C(=O)NCc1ncc(C)s1
InChIInChI=1S/C10H17N3OS/c1-4-13(5-2)10(14)12-7-9-11-6-8(3)15-9/h6H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyAJUXSQHOHKBPSX-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.00
Rot. Bonds4

About 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea

1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 103697870) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID103697870
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCCN(CC)C(=O)NCc1ncc(C)s1
InChIInChI=1S/C10H17N3OS/c1-4-13(5-2)10(14)12-7-9-11-6-8(3)15-9/h6H,4-5,7H2,1-3H3,(H,12,14)
InChIKeyAJUXSQHOHKBPSX-UHFFFAOYSA-N
XLogP2.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-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-ethyl-1-[2-hydroxy-2-(4-methylphenyl)ethyl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 111722471
2-[ethyl-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
CID 114128699
(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
1,1-diethyl-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110870197
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 130678537
4-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 110738921
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782
2-amino-2-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]pentanamide
CID 103814824
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
2-methyl-3-(methylamino)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 103814807

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (CID 103697870) is 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea is CCN(CC)C(=O)NCc1ncc(C)s1.
What is the InChIKey of 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is AJUXSQHOHKBPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-13(5-2)10(14)12-7-9-11-6-8(3)15-9/h6H,4-5,7H2,1-3H3,(H,12,14).
What are the key properties of 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 227.33 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 103697870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).