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

C18H22N4OS2 — CID 26278609

IUPAC4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cccs2)sc1-c1ccn(C[C@@H]2CCCCO2)n1
InChIInChI=1S/C18H22N4OS2/c1-13-17(25-18(20-13)19-11-15-6-4-10-24-15)16-7-8-22(21-16)12-14-5-2-3-9-23-14/h4,6-8,10,14H,2-3,5,9,11-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyCDXVWHUDBXAVRE-AWEZNQCLSA-N
MW374.54 g/mol
LogP4.56
Rot. Bonds6

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

4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 26278609) has the molecular formula C18H22N4OS2 and a molecular weight of 374.54 g/mol. Its IUPAC name is 4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID26278609
Molecular FormulaC18H22N4OS2
Molecular Weight374.54 g/mol
Exact Mass374.12
IUPAC Name4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCc1nc(NCc2cccs2)sc1-c1ccn(C[C@@H]2CCCCO2)n1
InChIInChI=1S/C18H22N4OS2/c1-13-17(25-18(20-13)19-11-15-6-4-10-24-15)16-7-8-22(21-16)12-14-5-2-3-9-23-14/h4,6-8,10,14H,2-3,5,9,11-12H2,1H3,(H,19,20)/t14-/m0/s1
InChIKeyCDXVWHUDBXAVRE-AWEZNQCLSA-N
XLogP4.56
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-5-[1-(oxan-2-ylmethyl)pyrazol-3-yl]-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 56860448
N-[(2,3-dimethoxyphenyl)methyl]-4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26357610
4-methyl-5-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 125168426
5-[1-(cyclopropylmethyl)pyrazol-3-yl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 56851838
N-[(2,6-dimethoxyphenyl)methyl]-4-methyl-5-[1-[(1-methylpiperidin-3-yl)methyl]pyrazol-3-yl]-1,3-thiazol-2-amine
CID 126464257
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
5-[3-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-3-yl]phenyl]pyrimidine
CID 29107228
N-(cyclopropylmethyl)-4-methyl-5-(1-methylpyrazol-3-yl)-1,3-thiazol-2-amine
CID 118754279
2-[3-[4-methyl-2-[(5-methylfuran-2-yl)methylamino]-1,3-thiazol-5-yl]pyrazol-1-yl]ethanol
CID 126463922
2-methoxy-3-[3-[1-(oxan-2-ylmethyl)pyrazol-3-yl]phenyl]pyrazine
CID 45206673
N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 25295196
N-benzyl-4-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-1,3-thiazol-2-amine
CID 2511300

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (CID 26278609) is 4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is Cc1nc(NCc2cccs2)sc1-c1ccn(C[C@@H]2CCCCO2)n1.
What is the InChIKey of 4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is CDXVWHUDBXAVRE-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22N4OS2/c1-13-17(25-18(20-13)19-11-15-6-4-10-24-15)16-7-8-22(21-16)12-14-5-2-3-9-23-14/h4,6-8,10,14H,2-3,5,9,11-12H2,1H3,(H,19,20)/t14-/m0/s1.
What are the key properties of 4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 374.54 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 26278609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).