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

C14H19N5OS — CID 72897833

IUPAC1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea
SMILESCCc1nnc(CNC(=O)Nc2cccc(N(C)C)c2)s1
InChIInChI=1S/C14H19N5OS/c1-4-12-17-18-13(21-12)9-15-14(20)16-10-6-5-7-11(8-10)19(2)3/h5-8H,4,9H2,1-3H3,(H2,15,16,20)
InChIKeyBFZWZVHHJNIJCJ-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.49
Rot. Bonds5

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

1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea (PubChem CID 72897833) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea
PubChem CID72897833
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea
SMILESCCc1nnc(CNC(=O)Nc2cccc(N(C)C)c2)s1
InChIInChI=1S/C14H19N5OS/c1-4-12-17-18-13(21-12)9-15-14(20)16-10-6-5-7-11(8-10)19(2)3/h5-8H,4,9H2,1-3H3,(H2,15,16,20)
InChIKeyBFZWZVHHJNIJCJ-UHFFFAOYSA-N
XLogP2.49
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-adamantylmethyl)-3-[3-(dimethylamino)phenyl]urea
CID 108870422
1-(3-chlorophenyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]urea
CID 110874593
1-[[3-(dimethylamino)phenyl]methyl]-3-phenylurea
CID 110472246
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172
3-[[3-(dimethylamino)phenyl]carbamoylamino]-2,2-dimethylpropanoic acid
CID 115428993
1-[3-(dimethylamino)phenyl]-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890825
1-[3-[ethyl(methyl)amino]phenyl]-3-(thiophen-2-ylmethyl)urea
CID 51135176
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487
1-[3-(dimethylamino)phenyl]-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108901015
1-(3-chlorophenyl)-3-[[4-(dimethylamino)phenyl]methyl]urea
CID 27869113
1-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]-3-[3-methoxy-5-(5-methyltetrazol-1-yl)phenyl]urea
CID 72860216

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea?
The IUPAC name of 1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea (CID 72897833) is 1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea?
The canonical SMILES for 1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea is CCc1nnc(CNC(=O)Nc2cccc(N(C)C)c2)s1.
What is the InChIKey of 1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea?
The InChIKey is BFZWZVHHJNIJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-12-17-18-13(21-12)9-15-14(20)16-10-6-5-7-11(8-10)19(2)3/h5-8H,4,9H2,1-3H3,(H2,15,16,20).
What are the key properties of 1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea?
1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea has a molecular weight of 305.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)phenyl]-3-[(5-ethyl-1,3,4-thiadiazol-2-yl)methyl]urea is sourced from PubChem (CID 72897833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).