N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

C19H17N5OS — CID 44565887

IUPACN-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1ccn(CCOc2ccc(Nc3nccc(-c4nccs4)n3)cc2)c1
InChIInChI=1S/C19H17N5OS/c1-2-11-24(10-1)12-13-25-16-5-3-15(4-6-16)22-19-21-8-7-17(23-19)18-20-9-14-26-18/h1-11,14H,12-13H2,(H,21,22,23)
InChIKeyQQMARRRQCNDGAX-UHFFFAOYSA-N
MW363.45 g/mol
LogP4.22
Rot. Bonds7

About N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine

N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 44565887) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID44565887
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC NameN-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESc1ccn(CCOc2ccc(Nc3nccc(-c4nccs4)n3)cc2)c1
InChIInChI=1S/C19H17N5OS/c1-2-11-24(10-1)12-13-25-16-5-3-15(4-6-16)22-19-21-8-7-17(23-19)18-20-9-14-26-18/h1-11,14H,12-13H2,(H,21,22,23)
InChIKeyQQMARRRQCNDGAX-UHFFFAOYSA-N
XLogP4.22
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Mbx-2982
CID 25025505
JK184
CID 1069686
N-(4-(3-morpholinopyridin-2-yloxy)phenyl)benzo[d]thiazol-2-amine
CID 59327176
5-[4-Ethyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methylthieno[3,2-b]pyrrole
CID 132138987
N-[3-(1H-imidazol-1-yl)propyl]-6-methoxy-1,3-benzothiazol-2-amine
CID 6539205
(4-Ethoxy-phenyl)-(4-pyridin-3-yl-thiazol-2-yl)-amine
CID 869831
N-(4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-amine
CID 667521
4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 2877432
N-(4-ethoxyphenyl)-4-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-2-amine hydrobromide
CID 2877569
N-(4-Methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)thiazol-2-amine hydrobromide
CID 2877597
CID 2877735
CID 2877735
N-[3-[2-(1H-imidazol-1-yl)ethoxy]phenyl]-4-(2-thienyl)-2-pyrimidinamine
CID 9820417

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine (CID 44565887) is N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is c1ccn(CCOc2ccc(Nc3nccc(-c4nccs4)n3)cc2)c1.
What is the InChIKey of N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is QQMARRRQCNDGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-2-11-24(10-1)12-13-25-16-5-3-15(4-6-16)22-19-21-8-7-17(23-19)18-20-9-14-26-18/h1-11,14H,12-13H2,(H,21,22,23).
What are the key properties of N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine?
N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 363.45 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrol-1-ylethoxy)phenyl]-4-(1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 44565887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).