1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea

C14H18ClN5OS — CID 146109503

IUPAC1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea
SMILESCc1c(Cl)cncc1NC(=O)NCc1nc(CN(C)C)cs1
InChIInChI=1S/C14H18ClN5OS/c1-9-11(15)4-16-5-12(9)19-14(21)17-6-13-18-10(8-22-13)7-20(2)3/h4-5,8H,6-7H2,1-3H3,(H2,17,19,21)
InChIKeyMWFBRNBMEWLXGE-UHFFFAOYSA-N
MW339.85 g/mol
LogP2.88
Rot. Bonds5

About 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea

1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea (PubChem CID 146109503) has the molecular formula C14H18ClN5OS and a molecular weight of 339.85 g/mol. Its IUPAC name is 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea.

Molecular Properties

Compound Name1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea
PubChem CID146109503
Molecular FormulaC14H18ClN5OS
Molecular Weight339.85 g/mol
Exact Mass339.09
IUPAC Name1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea
SMILESCc1c(Cl)cncc1NC(=O)NCc1nc(CN(C)C)cs1
InChIInChI=1S/C14H18ClN5OS/c1-9-11(15)4-16-5-12(9)19-14(21)17-6-13-18-10(8-22-13)7-20(2)3/h4-5,8H,6-7H2,1-3H3,(H2,17,19,21)
InChIKeyMWFBRNBMEWLXGE-UHFFFAOYSA-N
XLogP2.88
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea?
The IUPAC name of 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea (CID 146109503) is 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea.
What is the SMILES notation for 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea?
The canonical SMILES for 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea is Cc1c(Cl)cncc1NC(=O)NCc1nc(CN(C)C)cs1.
What is the InChIKey of 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea?
The InChIKey is MWFBRNBMEWLXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5OS/c1-9-11(15)4-16-5-12(9)19-14(21)17-6-13-18-10(8-22-13)7-20(2)3/h4-5,8H,6-7H2,1-3H3,(H2,17,19,21).
What are the key properties of 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea?
1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea has a molecular weight of 339.85 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-methyl-3-pyridinyl)-3-[[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]methyl]urea is sourced from PubChem (CID 146109503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).