2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol

C18H20ClN5OS — CID 52941157

IUPAC2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(NCCO)n2)s1
InChIInChI=1S/C18H20ClN5OS/c1-11(2)22-18-21-10-16(26-18)15-9-14(12-5-3-4-6-13(12)19)23-17(24-15)20-7-8-25/h3-6,9-11,25H,7-8H2,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyCZCSZRYNOSGEEF-UHFFFAOYSA-N
MW389.91 g/mol
LogP4.14
Rot. Bonds7

About 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 52941157) has the molecular formula C18H20ClN5OS and a molecular weight of 389.91 g/mol. Its IUPAC name is 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID52941157
Molecular FormulaC18H20ClN5OS
Molecular Weight389.91 g/mol
Exact Mass389.11
IUPAC Name2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(NCCO)n2)s1
InChIInChI=1S/C18H20ClN5OS/c1-11(2)22-18-21-10-16(26-18)15-9-14(12-5-3-4-6-13(12)19)23-17(24-15)20-7-8-25/h3-6,9-11,25H,7-8H2,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyCZCSZRYNOSGEEF-UHFFFAOYSA-N
XLogP4.14
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol (CID 52941157) is 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol is CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(NCCO)n2)s1.
What is the InChIKey of 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is CZCSZRYNOSGEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5OS/c1-11(2)22-18-21-10-16(26-18)15-9-14(12-5-3-4-6-13(12)19)23-17(24-15)20-7-8-25/h3-6,9-11,25H,7-8H2,1-2H3,(H,21,22)(H,20,23,24).
What are the key properties of 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 389.91 g/mol, XLogP of 4.14, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-chlorophenyl)-6-[2-(propan-2-ylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 52941157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).