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

C18H14N4OS — CID 127045589

IUPAC4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(-c3ccoc3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C18H14N4OS/c1-11-16(15-6-8-20-18(19)22-15)24-17(21-11)13-4-2-12(3-5-13)14-7-9-23-10-14/h2-10H,1H3,(H2,19,20,22)
InChIKeyHGGMDRLXJYHKOI-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.42
Rot. Bonds3

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

4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 127045589) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID127045589
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1nc(-c2ccc(-c3ccoc3)cc2)sc1-c1ccnc(N)n1
InChIInChI=1S/C18H14N4OS/c1-11-16(15-6-8-20-18(19)22-15)24-17(21-11)13-4-2-12(3-5-13)14-7-9-23-10-14/h2-10H,1H3,(H2,19,20,22)
InChIKeyHGGMDRLXJYHKOI-UHFFFAOYSA-N
XLogP4.42
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Furan-2-yl)-10-thia-5,7,12-triazatetracyclo[11.7.0.03,11.04,9]icosa-1(13),2,4(9),5,7,11-hexaen-8-amine
CID 46884360
5-(furan-2-yl)-N-methyl-3-(thiazol-5-yl)-3H-pyrido[2,3-e][1,4]diazepin-2-amine
CID 135400824
6-(2-methylfuran-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine
CID 44968255
6-(furan-3-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]quinazolin-4-amine
CID 44968263
Methyl 4-((4-(4-(thiazol-2-yl)pyrimidin-2-ylamino)phenoxy)methyl)benzoate
CID 44565735
10-(Furan-2-yl)-18-thia-2,13,15-triazatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,12(17),13,15-hexaen-16-amine
CID 46884408
2-N-(furan-2-ylmethyl)-4-N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 118733462
4-[2-[4-(Furan-2-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 127045590
6-(1,3-benzothiazol-6-yl)-N-[1-[3-(furan-3-yl)phenyl]ethyl]-2-methylpyrimidin-4-amine
CID 70977646
Preparation of N-(4-(furan-3-yl)phenyl)-4-methyl-1-((2-(piperidin-1-yl)thiazol-4-yl)methyl)-1H-pyrrole-2-carboxamide
CID 142463662
2-[4-[4-Methyl-2-(4-octoxyphenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]guanidine
CID 145955270
2-Methyl-1-[4-[4-methyl-2-(4-octoxyphenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]guanidine
CID 145955903

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 127045589) is 4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1nc(-c2ccc(-c3ccoc3)cc2)sc1-c1ccnc(N)n1.
What is the InChIKey of 4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is HGGMDRLXJYHKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-11-16(15-6-8-20-18(19)22-15)24-17(21-11)13-4-2-12(3-5-13)14-7-9-23-10-14/h2-10H,1H3,(H2,19,20,22).
What are the key properties of 4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 334.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(furan-3-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 127045589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).