N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine

C18H19ClN4OS — CID 67348661

IUPACN-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3sc(C(C)C)nc3C)n2)cc1Cl
InChIInChI=1S/C18H19ClN4OS/c1-10(2)17-21-11(3)16(25-17)14-7-8-20-18(23-14)22-12-5-6-15(24-4)13(19)9-12/h5-10H,1-4H3,(H,20,22,23)
InChIKeyRSARLCIKNXDQPC-UHFFFAOYSA-N
MW374.90 g/mol
LogP5.44
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine

N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine (PubChem CID 67348661) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine
PubChem CID67348661
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3sc(C(C)C)nc3C)n2)cc1Cl
InChIInChI=1S/C18H19ClN4OS/c1-10(2)17-21-11(3)16(25-17)14-7-8-20-18(23-14)22-12-5-6-15(24-4)13(19)9-12/h5-10H,1-4H3,(H,20,22,23)
InChIKeyRSARLCIKNXDQPC-UHFFFAOYSA-N
XLogP5.44
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.90
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine (CID 67348661) is N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine is COc1ccc(Nc2nccc(-c3sc(C(C)C)nc3C)n2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine?
The InChIKey is RSARLCIKNXDQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c1-10(2)17-21-11(3)16(25-17)14-7-8-20-18(23-14)22-12-5-6-15(24-4)13(19)9-12/h5-10H,1-4H3,(H,20,22,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine?
N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine has a molecular weight of 374.90 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 67348661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).