(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C16H22N6OS — CID 34180167

IUPAC(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCc1nc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)sc1C
InChIInChI=1S/C16H22N6OS/c1-11-13(3)24-16(19-11)20-14(23)12(2)21-7-9-22(10-8-21)15-17-5-4-6-18-15/h4-6,12H,7-10H2,1-3H3,(H,19,20,23)/t12-/m1/s1
InChIKeyCBYVAMJCIXTJPN-GFCCVEGCSA-N
MW346.46 g/mol
LogP1.70
Rot. Bonds4

About (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 34180167) has the molecular formula C16H22N6OS and a molecular weight of 346.46 g/mol. Its IUPAC name is (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID34180167
Molecular FormulaC16H22N6OS
Molecular Weight346.46 g/mol
Exact Mass346.16
IUPAC Name(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCc1nc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)sc1C
InChIInChI=1S/C16H22N6OS/c1-11-13(3)24-16(19-11)20-14(23)12(2)21-7-9-22(10-8-21)15-17-5-4-6-18-15/h4-6,12H,7-10H2,1-3H3,(H,19,20,23)/t12-/m1/s1
InChIKeyCBYVAMJCIXTJPN-GFCCVEGCSA-N
XLogP1.70
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 34180167) is (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is Cc1nc(NC(=O)[C@@H](C)N2CCN(c3ncccn3)CC2)sc1C.
What is the InChIKey of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is CBYVAMJCIXTJPN-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N6OS/c1-11-13(3)24-16(19-11)20-14(23)12(2)21-7-9-22(10-8-21)15-17-5-4-6-18-15/h4-6,12H,7-10H2,1-3H3,(H,19,20,23)/t12-/m1/s1.
What are the key properties of (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
(2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 346.46 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 34180167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).