4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

C19H18N4S — CID 127045568

IUPAC4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(C3=CCCC3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C19H18N4S/c1-12-17(16-10-11-21-19(20)23-16)24-18(22-12)15-8-6-14(7-9-15)13-4-2-3-5-13/h4,6-11H,2-3,5H2,1H3,(H2,20,21,23)
InChIKeyOYPRBDPJSHHADY-UHFFFAOYSA-N
MW334.45 g/mol
LogP4.73
Rot. Bonds3

About 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine

4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 127045568) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID127045568
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC Name4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(C3=CCCC3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C19H18N4S/c1-12-17(16-10-11-21-19(20)23-16)24-18(22-12)15-8-6-14(7-9-15)13-4-2-3-5-13/h4,6-11H,2-3,5H2,1H3,(H2,20,21,23)
InChIKeyOYPRBDPJSHHADY-UHFFFAOYSA-N
XLogP4.73
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 127045568) is 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2ccc(C3=CCCC3)cc2)sc1-c1ccnc(N)n1.
What is the InChIKey of 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is OYPRBDPJSHHADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-12-17(16-10-11-21-19(20)23-16)24-18(22-12)15-8-6-14(7-9-15)13-4-2-3-5-13/h4,6-11H,2-3,5H2,1H3,(H2,20,21,23).
What are the key properties of 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 334.45 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(cyclopenten-1-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 127045568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).