1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea

C20H25N5O3S — CID 41429984

IUPAC1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CCC1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C20H25N5O3S/c26-17(16-13-29-19(22-16)25-9-11-28-12-10-25)23-24-18(27)21-14-20(7-4-8-20)15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2,(H,23,26)(H2,21,24,27)
InChIKeyLKJDNCZBBQLBTR-UHFFFAOYSA-N
MW415.52 g/mol
LogP2.05
Rot. Bonds5

About 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea

1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea (PubChem CID 41429984) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea.

Molecular Properties

Compound Name1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea
PubChem CID41429984
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CCC1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C20H25N5O3S/c26-17(16-13-29-19(22-16)25-9-11-28-12-10-25)23-24-18(27)21-14-20(7-4-8-20)15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2,(H,23,26)(H2,21,24,27)
InChIKeyLKJDNCZBBQLBTR-UHFFFAOYSA-N
XLogP2.05
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
CID 32810379
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 42928175
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 46672798
2-morpholin-4-yl-N'-(2-phenoxypropanoyl)-1,3-thiazole-4-carbohydrazide
CID 18120608
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
2-morpholin-4-yl-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 77085484
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592
2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide
CID 55616625
N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 18120613

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea?
The IUPAC name of 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea (CID 41429984) is 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea.
What is the SMILES notation for 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea?
The canonical SMILES for 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea is O=C(NCC1(c2ccccc2)CCC1)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea?
The InChIKey is LKJDNCZBBQLBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3S/c26-17(16-13-29-19(22-16)25-9-11-28-12-10-25)23-24-18(27)21-14-20(7-4-8-20)15-5-2-1-3-6-15/h1-3,5-6,13H,4,7-12,14H2,(H,23,26)(H2,21,24,27).
What are the key properties of 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea?
1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea has a molecular weight of 415.52 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea is sourced from PubChem (CID 41429984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).