1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea

C14H22N6OS — CID 71870251

IUPAC1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCN(C)CCn1ccc(NC(=O)NC(C)(C)c2nccs2)n1
InChIInChI=1S/C14H22N6OS/c1-14(2,12-15-6-10-22-12)17-13(21)16-11-5-7-20(18-11)9-8-19(3)4/h5-7,10H,8-9H2,1-4H3,(H2,16,17,18,21)
InChIKeyRCOZTKFLDLQNOF-UHFFFAOYSA-N
MW322.44 g/mol
LogP1.96
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea

1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (PubChem CID 71870251) has the molecular formula C14H22N6OS and a molecular weight of 322.44 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
PubChem CID71870251
Molecular FormulaC14H22N6OS
Molecular Weight322.44 g/mol
Exact Mass322.16
IUPAC Name1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
SMILESCN(C)CCn1ccc(NC(=O)NC(C)(C)c2nccs2)n1
InChIInChI=1S/C14H22N6OS/c1-14(2,12-15-6-10-22-12)17-13(21)16-11-5-7-20(18-11)9-8-19(3)4/h5-7,10H,8-9H2,1-4H3,(H2,16,17,18,21)
InChIKeyRCOZTKFLDLQNOF-UHFFFAOYSA-N
XLogP1.96
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea (CID 71870251) is 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is CN(C)CCn1ccc(NC(=O)NC(C)(C)c2nccs2)n1.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
The InChIKey is RCOZTKFLDLQNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6OS/c1-14(2,12-15-6-10-22-12)17-13(21)16-11-5-7-20(18-11)9-8-19(3)4/h5-7,10H,8-9H2,1-4H3,(H2,16,17,18,21).
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea?
1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea has a molecular weight of 322.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea is sourced from PubChem (CID 71870251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).