N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

C19H16F2N4S2 — CID 42345131

IUPACN-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2c(F)cccc2F)sc1-c1ccn(Cc2ccsc2)n1
InChIInChI=1S/C19H16F2N4S2/c1-12-18(17-5-7-25(24-17)10-13-6-8-26-11-13)27-19(23-12)22-9-14-15(20)3-2-4-16(14)21/h2-8,11H,9-10H2,1H3,(H,22,23)
InChIKeyXMUACQFDPJYUQO-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.32
Rot. Bonds6

About N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine

N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 42345131) has the molecular formula C19H16F2N4S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
PubChem CID42345131
Molecular FormulaC19H16F2N4S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC NameN-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
SMILESCc1nc(NCc2c(F)cccc2F)sc1-c1ccn(Cc2ccsc2)n1
InChIInChI=1S/C19H16F2N4S2/c1-12-18(17-5-7-25(24-17)10-13-6-8-26-11-13)27-19(23-12)22-9-14-15(20)3-2-4-16(14)21/h2-8,11H,9-10H2,1H3,(H,22,23)
InChIKeyXMUACQFDPJYUQO-UHFFFAOYSA-N
XLogP5.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1s)-1-(5-{[1-(2,6-Difluorobenzyl)-1h-Pyrazol-3-Yl]amino}-1,3,4-Thiadiazol-2-Yl)-1-(4-Methyl-1,3-Thiazol-2-Yl)ethanol
CID 46927949
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-pyridinyl)-1H-pyrazol-5-amine
CID 1474437
5-Methylsulfanyl-4-[4-(1-phenyl-5-propyl-1H-pyrazol-4-yl)-thiazol-2-yl]-thiophene-2-carboxamidine
CID 18672225
1-[5-[[1-[(2,6-Difluorophenyl)methyl]pyrazol-3-yl]amino]-1,3,4-thiadiazol-2-yl]-1-(4-methylthiazol-2-yl)ethanol
CID 46946547
4-[4-(2-methylpyrazol-3-yl)phenyl]-N-(6-methyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 71615269
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(2-thienyl)-1H-pyrazol-5-amine
CID 1474408
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-imidazol-4-yl)ethanamine
CID 16190928
4-[4-(1-Methyl-5-propyl-1H-pyrazol-4-yl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 44333788
4-[4-(1-Methyl-3-propyl-1H-pyrazol-4-yl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 44333799
5-Methylsulfanyl-4-[4-(1-phenyl-1H-pyrazol-4-yl)-thiazol-2-yl]-thiophene-2-carboxamidine
CID 44333829
N-isopropyl-6-(1-phenyl-1H-pyrazol-5-yl)benzo[d]thiazol-2-amine
CID 44448073
6-(1-(4-fluorophenyl)-1H-pyrazol-5-yl)-N-isopropylbenzo[d]thiazol-2-amine
CID 44448082

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine (CID 42345131) is N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is Cc1nc(NCc2c(F)cccc2F)sc1-c1ccn(Cc2ccsc2)n1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is XMUACQFDPJYUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4S2/c1-12-18(17-5-7-25(24-17)10-13-6-8-26-11-13)27-19(23-12)22-9-14-15(20)3-2-4-16(14)21/h2-8,11H,9-10H2,1H3,(H,22,23).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine?
N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 402.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 42345131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).