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

C9H15N3OS — CID 115604557

IUPAC1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCN(C)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C9H15N3OS/c1-4-12(3)9(13)11-6-8-5-10-7(2)14-8/h5H,4,6H2,1-3H3,(H,11,13)
InChIKeyZPMNXBBHZXWBNK-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.61
Rot. Bonds3

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

1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (PubChem CID 115604557) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
PubChem CID115604557
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
SMILESCCN(C)C(=O)NCc1cnc(C)s1
InChIInChI=1S/C9H15N3OS/c1-4-12(3)9(13)11-6-8-5-10-7(2)14-8/h5H,4,6H2,1-3H3,(H,11,13)
InChIKeyZPMNXBBHZXWBNK-UHFFFAOYSA-N
XLogP1.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 75462199
2-chloro-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 61280250
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 79023293
1-[(1R,3S)-3-ethylsulfanylcyclopentyl]-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 97058827
3,3-dimethyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825746
3,5-dibromo-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113349585
1,1-dimethyl-2-[(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 83003423
3-bromo-N-[(2-methyl-1,3-thiazol-5-yl)methyl]prop-2-ynamide
CID 126988210
propan-2-yl N-[(2-methyl-1,3-thiazol-5-yl)methyl]carbamate
CID 116654769
ethyl 4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-4-oxobutanoate
CID 61381264
2-amino-2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pentanamide
CID 61280646
3-(1-benzofuran-2-ylmethyl)-1-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 146084461

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The IUPAC name of 1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea (CID 115604557) is 1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The canonical SMILES for 1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is CCN(C)C(=O)NCc1cnc(C)s1.
What is the InChIKey of 1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
The InChIKey is ZPMNXBBHZXWBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-4-12(3)9(13)11-6-8-5-10-7(2)14-8/h5H,4,6H2,1-3H3,(H,11,13).
What are the key properties of 1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea?
1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea has a molecular weight of 213.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea is sourced from PubChem (CID 115604557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).