1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

C13H18N4OS2 — CID 47194289

IUPAC1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC(c2cccs2)N(C)C)n1
InChIInChI=1S/C13H18N4OS2/c1-9-8-20-13(15-9)16-12(18)14-7-10(17(2)3)11-5-4-6-19-11/h4-6,8,10H,7H2,1-3H3,(H2,14,15,16,18)
InChIKeyTVNYILNGCXKWPG-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.94
Rot. Bonds5

About 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea

1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (PubChem CID 47194289) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
PubChem CID47194289
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
SMILESCc1csc(NC(=O)NCC(c2cccs2)N(C)C)n1
InChIInChI=1S/C13H18N4OS2/c1-9-8-20-13(15-9)16-12(18)14-7-10(17(2)3)11-5-4-6-19-11/h4-6,8,10H,7H2,1-3H3,(H2,14,15,16,18)
InChIKeyTVNYILNGCXKWPG-UHFFFAOYSA-N
XLogP2.94
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)urea
CID 94030001
1-(4-chlorophenyl)-3-[2-(dimethylamino)-2-thiophen-2-ylethyl]urea
CID 18588947
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]acetamide
CID 51710563
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 111119318
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(2,2,2-trifluoroethyl)urea
CID 47134291
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-5-methylpyrazine-2-carboxamide
CID 30531933
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 18589155
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]butanamide
CID 51072640
3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-oxopropanoic acid
CID 62230106
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 93482434
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-N'-pyridin-4-yloxamide
CID 30835013
2-amino-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methylpropanamide
CID 61266045

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea (CID 47194289) is 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is Cc1csc(NC(=O)NCC(c2cccs2)N(C)C)n1.
What is the InChIKey of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is TVNYILNGCXKWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-9-8-20-13(15-9)16-12(18)14-7-10(17(2)3)11-5-4-6-19-11/h4-6,8,10H,7H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea?
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 310.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 47194289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).