3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea

C10H17N3O2S — CID 97067115

IUPAC3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
SMILESCc1nc(NC(=O)N(C)[C@@H](C)CO)sc1C
InChIInChI=1S/C10H17N3O2S/c1-6(5-14)13(4)10(15)12-9-11-7(2)8(3)16-9/h6,14H,5H2,1-4H3,(H,11,12,15)/t6-/m0/s1
InChIKeyNYXIMWFEDYYEBE-LURJTMIESA-N
MW243.33 g/mol
LogP1.60
Rot. Bonds3

About 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea

3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea (PubChem CID 97067115) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
PubChem CID97067115
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea
SMILESCc1nc(NC(=O)N(C)[C@@H](C)CO)sc1C
InChIInChI=1S/C10H17N3O2S/c1-6(5-14)13(4)10(15)12-9-11-7(2)8(3)16-9/h6,14H,5H2,1-4H3,(H,11,12,15)/t6-/m0/s1
InChIKeyNYXIMWFEDYYEBE-LURJTMIESA-N
XLogP1.60
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea?
The IUPAC name of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea (CID 97067115) is 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea.
What is the SMILES notation for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea?
The canonical SMILES for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea is Cc1nc(NC(=O)N(C)[C@@H](C)CO)sc1C.
What is the InChIKey of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea?
The InChIKey is NYXIMWFEDYYEBE-LURJTMIESA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-6(5-14)13(4)10(15)12-9-11-7(2)8(3)16-9/h6,14H,5H2,1-4H3,(H,11,12,15)/t6-/m0/s1.
What are the key properties of 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea?
3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea has a molecular weight of 243.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,3-thiazol-2-yl)-1-[(2S)-1-hydroxypropan-2-yl]-1-methylurea is sourced from PubChem (CID 97067115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).