N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine

C12H16N2OS2 — CID 8750414

IUPACN-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCOC[C@H](C)Nc1nc(-c2ccc(C)s2)cs1
InChIInChI=1S/C12H16N2OS2/c1-8(6-15-3)13-12-14-10(7-16-12)11-5-4-9(2)17-11/h4-5,7-8H,6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyLRVMQVMJCRPNHU-QMMMGPOBSA-N
MW268.41 g/mol
LogP3.63
Rot. Bonds5

About N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine

N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine (PubChem CID 8750414) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
PubChem CID8750414
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
SMILESCOC[C@H](C)Nc1nc(-c2ccc(C)s2)cs1
InChIInChI=1S/C12H16N2OS2/c1-8(6-15-3)13-12-14-10(7-16-12)11-5-4-9(2)17-11/h4-5,7-8H,6H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyLRVMQVMJCRPNHU-QMMMGPOBSA-N
XLogP3.63
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
CID 2496794
N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 4884366
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 2649638
2-methoxy-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 51328878
4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392
4-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878542
4-(5-fluoro-2-methoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8878537
N-[3-fluoro-4-[2-(1-methoxypropan-2-ylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 17458228
N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]phenyl]benzamide
CID 8750419
4-(5-ethylthiophen-2-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8750708
N-benzyl-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 72720135

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine (CID 8750414) is N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine is COC[C@H](C)Nc1nc(-c2ccc(C)s2)cs1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine?
The InChIKey is LRVMQVMJCRPNHU-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-8(6-15-3)13-12-14-10(7-16-12)11-5-4-9(2)17-11/h4-5,7-8H,6H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine?
N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 8750414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).