1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine

C14H18ClN3S2 — CID 65038348

IUPAC1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCc1nc(SC(c2ccc(Cl)s2)C(C)N)nc(C)c1C
InChIInChI=1S/C14H18ClN3S2/c1-7-9(3)17-14(18-10(7)4)20-13(8(2)16)11-5-6-12(15)19-11/h5-6,8,13H,16H2,1-4H3
InChIKeyALENFRZVLMGZSM-UHFFFAOYSA-N
MW327.91 g/mol
LogP4.30
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine

1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine (PubChem CID 65038348) has the molecular formula C14H18ClN3S2 and a molecular weight of 327.91 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
PubChem CID65038348
Molecular FormulaC14H18ClN3S2
Molecular Weight327.91 g/mol
Exact Mass327.06
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
SMILESCc1nc(SC(c2ccc(Cl)s2)C(C)N)nc(C)c1C
InChIInChI=1S/C14H18ClN3S2/c1-7-9(3)17-14(18-10(7)4)20-13(8(2)16)11-5-6-12(15)19-11/h5-6,8,13H,16H2,1-4H3
InChIKeyALENFRZVLMGZSM-UHFFFAOYSA-N
XLogP4.30
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.91
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65039022
5-[2-amino-1-(5-chlorothiophen-2-yl)propyl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63739393
1-(2-fluorophenyl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine
CID 65043474
1-(5-chlorothiophen-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propan-2-amine
CID 115478382
2-(5-methylthiophen-2-yl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylethanamine
CID 65039128
N-[1-(2-tert-butyl-4-methyl-1,3-thiazol-5-yl)ethyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 43783015
1-(3-methylthiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65038614
1-(5-chlorothiophen-2-yl)-N-[1-(5-chlorothiophen-2-yl)ethyl]ethanamine
CID 43692517
1-(3-chlorophenyl)sulfanyl-1-(5-methylthiophen-2-yl)propan-2-amine
CID 62646460
1-(4-bromothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbutan-2-amine
CID 65043376
1-(5-bromothiophen-2-yl)-1-[(4,6-dimethyl-2-pyridinyl)sulfanyl]propan-2-amine
CID 102924749
2-(1-bromoethyl)-5-chlorothiophene
CID 61096745

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine (CID 65038348) is 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine is Cc1nc(SC(c2ccc(Cl)s2)C(C)N)nc(C)c1C.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine?
The InChIKey is ALENFRZVLMGZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S2/c1-7-9(3)17-14(18-10(7)4)20-13(8(2)16)11-5-6-12(15)19-11/h5-6,8,13H,16H2,1-4H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine?
1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine has a molecular weight of 327.91 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-2-amine is sourced from PubChem (CID 65038348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).