1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea

C10H11N3O2S2 — CID 99833695

IUPAC1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea
SMILESCOCc1csc(NC(=O)Nc2ccsc2)n1
InChIInChI=1S/C10H11N3O2S2/c1-15-4-8-6-17-10(12-8)13-9(14)11-7-2-3-16-5-7/h2-3,5-6H,4H2,1H3,(H2,11,12,13,14)
InChIKeyZSPNRHTUCRLNIE-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.99
Rot. Bonds4

About 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea

1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea (PubChem CID 99833695) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea
PubChem CID99833695
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea
SMILESCOCc1csc(NC(=O)Nc2ccsc2)n1
InChIInChI=1S/C10H11N3O2S2/c1-15-4-8-6-17-10(12-8)13-9(14)11-7-2-3-16-5-7/h2-3,5-6H,4H2,1H3,(H2,11,12,13,14)
InChIKeyZSPNRHTUCRLNIE-UHFFFAOYSA-N
XLogP2.99
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(methoxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87285914
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(pyridin-2-ylmethyl)urea
CID 75464257
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119744727
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-[4-(1-methylpyrrol-2-yl)butan-2-yl]urea
CID 71991764
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 119301038
(2R,3R)-N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-methyl-2-phenylazetidine-1-carboxamide
CID 99715252
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-(8-tricyclo[5.2.1.02,6]decanyl)urea
CID 102558480
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1,1-dimethylhydrazine
CID 131059203
N-[4-(methoxymethyl)-1,3-thiazol-2-yl]-6-methyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 11717378
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
phenyl N-[4-(2-methoxyethoxymethyl)-1,3-thiazol-2-yl]carbamate
CID 86622750

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea?
The IUPAC name of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea (CID 99833695) is 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea.
What is the SMILES notation for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea?
The canonical SMILES for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea is COCc1csc(NC(=O)Nc2ccsc2)n1.
What is the InChIKey of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea?
The InChIKey is ZSPNRHTUCRLNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-15-4-8-6-17-10(12-8)13-9(14)11-7-2-3-16-5-7/h2-3,5-6H,4H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea?
1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea has a molecular weight of 269.35 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-1,3-thiazol-2-yl]-3-thiophen-3-ylurea is sourced from PubChem (CID 99833695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).