2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine

C10H18N2S2 — CID 66244562

IUPAC2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine
SMILESCC(CN)SCc1csc(C(C)C)n1
InChIInChI=1S/C10H18N2S2/c1-7(2)10-12-9(6-14-10)5-13-8(3)4-11/h6-8H,4-5,11H2,1-3H3
InChIKeyKDHKPTGJRHNBCO-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.85
Rot. Bonds5

About 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine

2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine (PubChem CID 66244562) has the molecular formula C10H18N2S2 and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine
PubChem CID66244562
Molecular FormulaC10H18N2S2
Molecular Weight230.40 g/mol
Exact Mass230.09
IUPAC Name2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine
SMILESCC(CN)SCc1csc(C(C)C)n1
InChIInChI=1S/C10H18N2S2/c1-7(2)10-12-9(6-14-10)5-13-8(3)4-11/h6-8H,4-5,11H2,1-3H3
InChIKeyKDHKPTGJRHNBCO-UHFFFAOYSA-N
XLogP2.85
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]butanoate
CID 96503472
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CID 66243923
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 61229647
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
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[5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1,2,4-triazol-3-yl]methanamine
CID 63313706
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
7-(1-aminopropan-2-ylsulfanylmethyl)-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 66219107
4-ethoxy-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]aniline
CID 79527451
N-methyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
CID 18758998
4-(methylsulfonylmethyl)-2-propan-2-yl-1,3-thiazole
CID 52602693
2-aminoacetic acid;N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 11637350
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine?
The IUPAC name of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine (CID 66244562) is 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine is CC(CN)SCc1csc(C(C)C)n1.
What is the InChIKey of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine?
The InChIKey is KDHKPTGJRHNBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S2/c1-7(2)10-12-9(6-14-10)5-13-8(3)4-11/h6-8H,4-5,11H2,1-3H3.
What are the key properties of 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine?
2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-amine is sourced from PubChem (CID 66244562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).