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

C13H16N6OS — CID 154775226

IUPAC1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea
SMILESCC(=NNC(=O)NCCc1ccccn1)c1csc(N)n1
InChIInChI=1S/C13H16N6OS/c1-9(11-8-21-12(14)17-11)18-19-13(20)16-7-5-10-4-2-3-6-15-10/h2-4,6,8H,5,7H2,1H3,(H2,14,17)(H2,16,19,20)
InChIKeyDVMGIQSBCPXCAM-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.39
Rot. Bonds5

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

1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea (PubChem CID 154775226) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea
PubChem CID154775226
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC Name1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea
SMILESCC(=NNC(=O)NCCc1ccccn1)c1csc(N)n1
InChIInChI=1S/C13H16N6OS/c1-9(11-8-21-12(14)17-11)18-19-13(20)16-7-5-10-4-2-3-6-15-10/h2-4,6,8H,5,7H2,1H3,(H2,14,17)(H2,16,19,20)
InChIKeyDVMGIQSBCPXCAM-UHFFFAOYSA-N
XLogP1.39
TPSA105.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
CID 48544874
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
1-(4-methylphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 770306
1-(3-hydroxypropyl)-3-(2-pyridin-2-ylethyl)urea
CID 110892181
N,N'-bis(1-pyridin-2-ylethylideneamino)pentanediamide
CID 4258546
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-(4-phenyl-1,3-thiazol-2-yl)-N-[(Z)-1-pyridin-2-ylethylideneamino]acetamide
CID 8881051
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-(2-pyridin-2-ylethyl)-3-quinolin-8-ylurea
CID 47032875
4-amino-2-(ethylamino)-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116669038
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea (CID 154775226) is 1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea is CC(=NNC(=O)NCCc1ccccn1)c1csc(N)n1.
What is the InChIKey of 1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea?
The InChIKey is DVMGIQSBCPXCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-9(11-8-21-12(14)17-11)18-19-13(20)16-7-5-10-4-2-3-6-15-10/h2-4,6,8H,5,7H2,1H3,(H2,14,17)(H2,16,19,20).
What are the key properties of 1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea?
1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea has a molecular weight of 304.38 g/mol, XLogP of 1.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-amino-1,3-thiazol-4-yl)ethylideneamino]-3-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 154775226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).