1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea

C14H14N6OS — CID 134813239

IUPAC1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)NCc1cscn1
InChIInChI=1S/C14H14N6OS/c21-14(18-7-12-8-22-10-19-12)17-6-11-1-2-16-13(5-11)20-4-3-15-9-20/h1-5,8-10H,6-7H2,(H2,17,18,21)
InChIKeyICVAXHFENAAGCV-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.72
Rot. Bonds5

About 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea

1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea (PubChem CID 134813239) has the molecular formula C14H14N6OS and a molecular weight of 314.37 g/mol. Its IUPAC name is 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
PubChem CID134813239
Molecular FormulaC14H14N6OS
Molecular Weight314.37 g/mol
Exact Mass314.09
IUPAC Name1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea
SMILESO=C(NCc1ccnc(-n2ccnc2)c1)NCc1cscn1
InChIInChI=1S/C14H14N6OS/c21-14(18-7-12-8-22-10-19-12)17-6-11-1-2-16-13(5-11)20-4-3-15-9-20/h1-5,8-10H,6-7H2,(H2,17,18,21)
InChIKeyICVAXHFENAAGCV-UHFFFAOYSA-N
XLogP1.72
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 136523432
1-(2-hydroxycyclohexyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
CID 110933396
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3,3-diphenylpropanamide
CID 47060911
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 75370015
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-4-(methylamino)butanamide;dihydrochloride
CID 119859956
3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(2-methylpropyl)-1-propan-2-ylurea
CID 136527613
2-(cyclopropylmethylamino)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]acetamide;dihydrochloride
CID 119859974
1-[(1S,2S)-2-cyclohexylcyclopropyl]-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]urea
CID 95933124
1-ethyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111939867
(1S)-N-[(2-imidazol-1-yl-4-pyridinyl)methyl]cyclohex-3-ene-1-carboxamide
CID 94565002
N-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 56816401
1-benzyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 110952946

Frequently Asked Questions

What is the IUPAC name of 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The IUPAC name of 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea (CID 134813239) is 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea.
What is the SMILES notation for 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The canonical SMILES for 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea is O=C(NCc1ccnc(-n2ccnc2)c1)NCc1cscn1.
What is the InChIKey of 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea?
The InChIKey is ICVAXHFENAAGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6OS/c21-14(18-7-12-8-22-10-19-12)17-6-11-1-2-16-13(5-11)20-4-3-15-9-20/h1-5,8-10H,6-7H2,(H2,17,18,21).
What are the key properties of 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea?
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea has a molecular weight of 314.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(1,3-thiazol-4-ylmethyl)urea is sourced from PubChem (CID 134813239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).