1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea

C17H23N5O2S — CID 126788756

IUPAC1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCCc1cnc(CN(C)C(=O)Nc2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C17H23N5O2S/c1-3-14-11-19-16(25-14)12-21(2)17(23)20-13-4-5-15(18-10-13)22-6-8-24-9-7-22/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,23)
InChIKeyDDUGNQAZZANIKH-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.60
Rot. Bonds5

About 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea (PubChem CID 126788756) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
PubChem CID126788756
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
SMILESCCc1cnc(CN(C)C(=O)Nc2ccc(N3CCOCC3)nc2)s1
InChIInChI=1S/C17H23N5O2S/c1-3-14-11-19-16(25-14)12-21(2)17(23)20-13-4-5-15(18-10-13)22-6-8-24-9-7-22/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,23)
InChIKeyDDUGNQAZZANIKH-UHFFFAOYSA-N
XLogP2.60
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea with MolForge

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Related Compounds

1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(4-prop-2-ynoxyphenyl)urea
CID 71981543
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2,5-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)thiophene-3-carboxamide
CID 18158652
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426
(2S)-2-amino-N-(6-morpholin-4-yl-3-pyridinyl)butanamide;dihydrochloride
CID 119839706
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
1-(2-hydroxypropyl)-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47221090
1-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95772331
1-[(2S)-2-hydroxy-2-methylbutyl]-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 95156925

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The IUPAC name of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea (CID 126788756) is 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea.
What is the SMILES notation for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The canonical SMILES for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea is CCc1cnc(CN(C)C(=O)Nc2ccc(N3CCOCC3)nc2)s1.
What is the InChIKey of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
The InChIKey is DDUGNQAZZANIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-3-14-11-19-16(25-14)12-21(2)17(23)20-13-4-5-15(18-10-13)22-6-8-24-9-7-22/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,23).
What are the key properties of 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea?
1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea has a molecular weight of 361.47 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea is sourced from PubChem (CID 126788756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).