1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea

C14H19N5OS — CID 71865035

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea
SMILESCCc1cnc(CN(C)C(=O)NCc2ccnc(C)n2)s1
InChIInChI=1S/C14H19N5OS/c1-4-12-8-16-13(21-12)9-19(3)14(20)17-7-11-5-6-15-10(2)18-11/h5-6,8H,4,7,9H2,1-3H3,(H,17,20)
InChIKeyTZHYTTDRQBQVCC-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.15
Rot. Bonds5

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea (PubChem CID 71865035) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea
PubChem CID71865035
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea
SMILESCCc1cnc(CN(C)C(=O)NCc2ccnc(C)n2)s1
InChIInChI=1S/C14H19N5OS/c1-4-12-8-16-13(21-12)9-19(3)14(20)17-7-11-5-6-15-10(2)18-11/h5-6,8H,4,7,9H2,1-3H3,(H,17,20)
InChIKeyTZHYTTDRQBQVCC-UHFFFAOYSA-N
XLogP2.15
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]methyl]benzoic acid
CID 122020351
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methylurea
CID 71981476
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981692
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-(4-hydroxy-2,2-dimethylpentyl)-1-methylurea
CID 111619012
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-[2-(3-hydroxyphenyl)ethyl]-1-methylurea
CID 71864840
3-[[(5-ethyl-1,3-thiazol-2-yl)methyl-methylcarbamoyl]amino]-N,N-dimethylbenzamide
CID 71865083
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(4-prop-2-ynoxyphenyl)urea
CID 71981543
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 126788756
3-(2,3-dihydro-1-benzofuran-3-yl)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
CID 71981686
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398770
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea (CID 71865035) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea is CCc1cnc(CN(C)C(=O)NCc2ccnc(C)n2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea?
The InChIKey is TZHYTTDRQBQVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-4-12-8-16-13(21-12)9-19(3)14(20)17-7-11-5-6-15-10(2)18-11/h5-6,8H,4,7,9H2,1-3H3,(H,17,20).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea has a molecular weight of 305.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-[(2-methylpyrimidin-4-yl)methyl]urea is sourced from PubChem (CID 71865035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).