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

C14H18N4OS — CID 86855084

IUPAC1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea
SMILESCc1nc(CN(C)C(=O)NCCc2cccnc2)cs1
InChIInChI=1S/C14H18N4OS/c1-11-17-13(10-20-11)9-18(2)14(19)16-7-5-12-4-3-6-15-8-12/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,16,19)
InChIKeyBRHHNZQAASWEEJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.23
Rot. Bonds5

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

1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea (PubChem CID 86855084) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea
PubChem CID86855084
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea
SMILESCc1nc(CN(C)C(=O)NCCc2cccnc2)cs1
InChIInChI=1S/C14H18N4OS/c1-11-17-13(10-20-11)9-18(2)14(19)16-7-5-12-4-3-6-15-8-12/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,16,19)
InChIKeyBRHHNZQAASWEEJ-UHFFFAOYSA-N
XLogP2.23
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,6-dichlorophenyl)ethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86855145
1,1-dimethyl-3-(2-pyridin-3-ylethyl)urea
CID 110872248
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
3-butyl-1-methyl-1-(pyridin-3-ylmethyl)urea
CID 78786414
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 111932863
1,2-dimethyl-3-[2-(3-methylphenyl)ethyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 109421506
3-[[4-(ethoxymethyl)phenyl]methyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 86855090
N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47290675
1-propyl-3-(2-pyridin-3-ylethyl)urea
CID 115578203
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 43664653
N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55134622
1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 94028530

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea (CID 86855084) is 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea is Cc1nc(CN(C)C(=O)NCCc2cccnc2)cs1.
What is the InChIKey of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea?
The InChIKey is BRHHNZQAASWEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-11-17-13(10-20-11)9-18(2)14(19)16-7-5-12-4-3-6-15-8-12/h3-4,6,8,10H,5,7,9H2,1-2H3,(H,16,19).
What are the key properties of 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea?
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea has a molecular weight of 290.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 86855084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).