[4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid

C18H19N5O2S — CID 67347692

IUPAC[4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid
SMILESCCc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C(=O)O)cc3)n2)s1
InChIInChI=1S/C18H19N5O2S/c1-4-15-20-11(2)16(26-15)14-9-10-19-17(22-14)21-12-5-7-13(8-6-12)23(3)18(24)25/h5-10H,4H2,1-3H3,(H,24,25)(H,19,21,22)
InChIKeyPPNWOJYDPJANPR-UHFFFAOYSA-N
MW369.45 g/mol
LogP4.33
Rot. Bonds5

About [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid

[4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid (PubChem CID 67347692) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid
PubChem CID67347692
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name[4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid
SMILESCCc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C(=O)O)cc3)n2)s1
InChIInChI=1S/C18H19N5O2S/c1-4-15-20-11(2)16(26-15)14-9-10-19-17(22-14)21-12-5-7-13(8-6-12)23(3)18(24)25/h5-10H,4H2,1-3H3,(H,24,25)(H,19,21,22)
InChIKeyPPNWOJYDPJANPR-UHFFFAOYSA-N
XLogP4.33
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl-[4-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]carbamic acid
CID 87366230
[4-[[4-(4-cyclopropyl-2-ethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-(2-methoxyethyl)carbamic acid
CID 67347392
ethyl 4-[[4-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzoate
CID 67350840
2-[4-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]-N-ethylanilino]ethanol
CID 10177145
[4-[[4-(4-butan-2-yl-2-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-(2-methoxyethyl)carbamic acid
CID 67349235
4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenol
CID 6539292
N-[5-[2-(4-chloroanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]formamide
CID 142894175
4-[[4-(3-amino-2-methylphenyl)pyrimidin-2-yl]amino]-N,N-dibenzylbenzamide
CID 69269219
N-(6-chloro-3-pyridinyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 11255595
N-methyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109313994
2-[4-[4-[[4-[4-methyl-2-[methyl(2-phenylethyl)amino]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]propanal
CID 175251018
4-[2-[(Z)-but-1-enyl]-4-methyl-1,3-thiazol-5-yl]-N-(3-ethylphenyl)pyrimidin-2-amine
CID 71205367

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid?
The IUPAC name of [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid (CID 67347692) is [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid.
What is the SMILES notation for [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid?
The canonical SMILES for [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid is CCc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C(=O)O)cc3)n2)s1.
What is the InChIKey of [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid?
The InChIKey is PPNWOJYDPJANPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-4-15-20-11(2)16(26-15)14-9-10-19-17(22-14)21-12-5-7-13(8-6-12)23(3)18(24)25/h5-10H,4H2,1-3H3,(H,24,25)(H,19,21,22).
What are the key properties of [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid?
[4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid has a molecular weight of 369.45 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]amino]phenyl]-methylcarbamic acid is sourced from PubChem (CID 67347692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).