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

C17H23N5O4S — CID 88996815

IUPAC1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea
SMILESCOc1ncc(-c2sc(NC(=O)NCCOCC3CC3)nc2C)nc1OC
InChIInChI=1S/C17H23N5O4S/c1-10-13(12-8-19-14(24-2)15(21-12)25-3)27-17(20-10)22-16(23)18-6-7-26-9-11-4-5-11/h8,11H,4-7,9H2,1-3H3,(H2,18,20,22,23)
InChIKeyAOHHRRINNWGSPZ-UHFFFAOYSA-N
MW393.47 g/mol
LogP2.47
Rot. Bonds9

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

1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea (PubChem CID 88996815) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea
PubChem CID88996815
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC Name1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea
SMILESCOc1ncc(-c2sc(NC(=O)NCCOCC3CC3)nc2C)nc1OC
InChIInChI=1S/C17H23N5O4S/c1-10-13(12-8-19-14(24-2)15(21-12)25-3)27-17(20-10)22-16(23)18-6-7-26-9-11-4-5-11/h8,11H,4-7,9H2,1-3H3,(H2,18,20,22,23)
InChIKeyAOHHRRINNWGSPZ-UHFFFAOYSA-N
XLogP2.47
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclopropylmethoxy)ethyl]-3-(4-methyl-5-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 88996925
1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(3-ethylidene-6-methoxyhept-4-en-1-ynyl)-4-methyl-1,3-thiazol-2-yl]urea
CID 91592460
1-[(2S)-2-(cyclopropylmethoxy)propyl]-3-[5-[2-(5,6-dimethoxy-3-pyridinyl)ethynyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 59615766
methyl 2-[3-(cyclopropylmethoxy)propylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 114098755
1-[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-(2-hydroxyethyl)urea
CID 87306595
1-(5-bromo-1-methylpyrazol-3-yl)-3-[2-(cyclopropylmethoxy)ethyl]urea
CID 58213381
1-[3-(cyclopropylmethoxy)propyl]-3-(2,6-dimethylphenyl)urea
CID 47133545
1-(4-methyl-5-pyridin-4-yl-1,3-thiazol-2-yl)-3-[2-(oxan-2-yl)ethyl]urea
CID 88996672
1-[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(2-propoxyethyl)urea
CID 46872070
methyl 4-[2-[[3-(2,2-difluoroethylamino)-3-oxopropyl]carbamoylamino]-4-methyl-1,3-thiazol-5-yl]benzoate
CID 23585003
3-[[5-(2-tert-butylpyrimidin-4-yl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 87307425
N-[2-(cyclopropylmethoxy)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 114098263

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea (CID 88996815) is 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea is COc1ncc(-c2sc(NC(=O)NCCOCC3CC3)nc2C)nc1OC.
What is the InChIKey of 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea?
The InChIKey is AOHHRRINNWGSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-10-13(12-8-19-14(24-2)15(21-12)25-3)27-17(20-10)22-16(23)18-6-7-26-9-11-4-5-11/h8,11H,4-7,9H2,1-3H3,(H2,18,20,22,23).
What are the key properties of 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea?
1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea has a molecular weight of 393.47 g/mol, XLogP of 2.47, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylmethoxy)ethyl]-3-[5-(5,6-dimethoxypyrazin-2-yl)-4-methyl-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 88996815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).