[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea

C12H15N5OS — CID 107648295

IUPAC[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
SMILESCc1nnc(NC(C)c2ccc(NC(N)=O)cc2)s1
InChIInChI=1S/C12H15N5OS/c1-7(14-12-17-16-8(2)19-12)9-3-5-10(6-4-9)15-11(13)18/h3-7H,1-2H3,(H,14,17)(H3,13,15,18)
InChIKeyDCSWGHRBOGKYRR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.51
Rot. Bonds4

About [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea

[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea (PubChem CID 107648295) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
PubChem CID107648295
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea
SMILESCc1nnc(NC(C)c2ccc(NC(N)=O)cc2)s1
InChIInChI=1S/C12H15N5OS/c1-7(14-12-17-16-8(2)19-12)9-3-5-10(6-4-9)15-11(13)18/h3-7H,1-2H3,(H,14,17)(H3,13,15,18)
InChIKeyDCSWGHRBOGKYRR-UHFFFAOYSA-N
XLogP2.51
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
[4-[1-(1,3-thiazol-2-ylamino)ethyl]phenyl]urea
CID 79047589
N-[1-(4-fluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 64982704
N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 65209214
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-methylthiophene-2-carboxamide
CID 47034489
[4-[1-[(5-methyl-3-pyridinyl)amino]ethyl]phenyl]urea
CID 103932386
[4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]ethyl]phenyl]urea
CID 43777234
N-[1-(3,5-difluorophenyl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine
CID 107648217
[4-[1-(3-bromo-5-methylanilino)ethyl]phenyl]urea
CID 104938370
[4-[1-(methoxyamino)ethyl]phenyl]urea
CID 82706415
[4-[1-[(1,3-dimethylpyrazol-4-yl)amino]ethyl]phenyl]urea
CID 104955781
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617996

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea (CID 107648295) is [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea is Cc1nnc(NC(C)c2ccc(NC(N)=O)cc2)s1.
What is the InChIKey of [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea?
The InChIKey is DCSWGHRBOGKYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-7(14-12-17-16-8(2)19-12)9-3-5-10(6-4-9)15-11(13)18/h3-7H,1-2H3,(H,14,17)(H3,13,15,18).
What are the key properties of [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea?
[4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea has a molecular weight of 277.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 107648295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).