1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea

C14H18N4OS — CID 60983648

IUPAC1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea
SMILESCCc1ncc(CNc2ccc(NC(=O)NC)cc2)s1
InChIInChI=1S/C14H18N4OS/c1-3-13-17-9-12(20-13)8-16-10-4-6-11(7-5-10)18-14(19)15-2/h4-7,9,16H,3,8H2,1-2H3,(H2,15,18,19)
InChIKeyDZLJLWXMZYRUAH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.07
Rot. Bonds5

About 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea

1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea (PubChem CID 60983648) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea.

Molecular Properties

Compound Name1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea
PubChem CID60983648
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea
SMILESCCc1ncc(CNc2ccc(NC(=O)NC)cc2)s1
InChIInChI=1S/C14H18N4OS/c1-3-13-17-9-12(20-13)8-16-10-4-6-11(7-5-10)18-14(19)15-2/h4-7,9,16H,3,8H2,1-2H3,(H2,15,18,19)
InChIKeyDZLJLWXMZYRUAH-UHFFFAOYSA-N
XLogP3.07
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883751
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-4-nitroaniline
CID 54883135
5-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2-fluorobenzoic acid
CID 54883431
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,4-dimethylaniline
CID 54883704
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3-iodo-4-methylaniline
CID 54883715
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrimidin-5-amine
CID 107588313
4-(difluoromethoxy)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 54883371
N-[3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxyphenyl]acetamide
CID 60982787
4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-2,2-dimethylbutanoic acid
CID 122127045
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 60982260
1-methyl-3-[4-(pyridin-4-ylmethylamino)phenyl]urea
CID 43744357
4-[(2-methyl-1,3-thiazol-5-yl)methylamino]benzoic acid
CID 60941885

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea?
The IUPAC name of 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea (CID 60983648) is 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea.
What is the SMILES notation for 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea?
The canonical SMILES for 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea is CCc1ncc(CNc2ccc(NC(=O)NC)cc2)s1.
What is the InChIKey of 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea?
The InChIKey is DZLJLWXMZYRUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-3-13-17-9-12(20-13)8-16-10-4-6-11(7-5-10)18-14(19)15-2/h4-7,9,16H,3,8H2,1-2H3,(H2,15,18,19).
What are the key properties of 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea?
1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea has a molecular weight of 290.39 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]phenyl]-3-methylurea is sourced from PubChem (CID 60983648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).