1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea

C18H25N5O3S — CID 90529765

IUPAC1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
SMILESCc1noc(C)c1CCC(=O)N1CCc2nc(NC(=O)NC(C)C)sc2C1
InChIInChI=1S/C18H25N5O3S/c1-10(2)19-17(25)21-18-20-14-7-8-23(9-15(14)27-18)16(24)6-5-13-11(3)22-26-12(13)4/h10H,5-9H2,1-4H3,(H2,19,20,21,25)
InChIKeyWTPXGTMRWHTCDZ-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.80
Rot. Bonds5

About 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea

1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (PubChem CID 90529765) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
PubChem CID90529765
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
SMILESCc1noc(C)c1CCC(=O)N1CCc2nc(NC(=O)NC(C)C)sc2C1
InChIInChI=1S/C18H25N5O3S/c1-10(2)19-17(25)21-18-20-14-7-8-23(9-15(14)27-18)16(24)6-5-13-11(3)22-26-12(13)4/h10H,5-9H2,1-4H3,(H2,19,20,21,25)
InChIKeyWTPXGTMRWHTCDZ-UHFFFAOYSA-N
XLogP2.80
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (CID 90529765) is 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea is Cc1noc(C)c1CCC(=O)N1CCc2nc(NC(=O)NC(C)C)sc2C1.
What is the InChIKey of 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?
The InChIKey is WTPXGTMRWHTCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-10(2)19-17(25)21-18-20-14-7-8-23(9-15(14)27-18)16(24)6-5-13-11(3)22-26-12(13)4/h10H,5-9H2,1-4H3,(H2,19,20,21,25).
What are the key properties of 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?
1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea has a molecular weight of 391.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 90529765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).