N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide

C19H22N6OS — CID 11646645

IUPACN-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide
SMILESCCNc1nc(C)c(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)s1
InChIInChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)
InChIKeyVEJCMMPVTMQFME-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.72
Rot. Bonds7

About N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide

N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide (PubChem CID 11646645) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide
PubChem CID11646645
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC NameN-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide
SMILESCCNc1nc(C)c(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)s1
InChIInChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25)
InChIKeyVEJCMMPVTMQFME-UHFFFAOYSA-N
XLogP3.72
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide (CID 11646645) is N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide is CCNc1nc(C)c(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)s1.
What is the InChIKey of N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide?
The InChIKey is VEJCMMPVTMQFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-4-20-19-23-12(2)17(27-19)16-9-10-21-18(25-16)24-15-7-5-14(6-8-15)11-22-13(3)26/h5-10H,4,11H2,1-3H3,(H,20,23)(H,22,26)(H,21,24,25).
What are the key properties of N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide?
N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.72, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[4-[2-(ethylamino)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]methyl]acetamide is sourced from PubChem (CID 11646645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).