N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine

C14H24N2S2 — CID 130314863

IUPACN-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1cnc(C(C)(CC2CC2)NSC(C)(C)C)s1
InChIInChI=1S/C14H24N2S2/c1-10-9-15-12(17-10)14(5,8-11-6-7-11)16-18-13(2,3)4/h9,11,16H,6-8H2,1-5H3
InChIKeyQRWFJQFIVWDCQK-UHFFFAOYSA-N
MW284.49 g/mol
LogP4.50
Rot. Bonds5

About N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine

N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine (PubChem CID 130314863) has the molecular formula C14H24N2S2 and a molecular weight of 284.49 g/mol. Its IUPAC name is N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine
PubChem CID130314863
Molecular FormulaC14H24N2S2
Molecular Weight284.49 g/mol
Exact Mass284.14
IUPAC NameN-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine
SMILESCc1cnc(C(C)(CC2CC2)NSC(C)(C)C)s1
InChIInChI=1S/C14H24N2S2/c1-10-9-15-12(17-10)14(5,8-11-6-7-11)16-18-13(2,3)4/h9,11,16H,6-8H2,1-5H3
InChIKeyQRWFJQFIVWDCQK-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine?
The IUPAC name of N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine (CID 130314863) is N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine.
What is the SMILES notation for N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine?
The canonical SMILES for N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine is Cc1cnc(C(C)(CC2CC2)NSC(C)(C)C)s1.
What is the InChIKey of N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine?
The InChIKey is QRWFJQFIVWDCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S2/c1-10-9-15-12(17-10)14(5,8-11-6-7-11)16-18-13(2,3)4/h9,11,16H,6-8H2,1-5H3.
What are the key properties of N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine?
N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine has a molecular weight of 284.49 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylsulfanyl-1-cyclopropyl-2-(5-methyl-1,3-thiazol-2-yl)propan-2-amine is sourced from PubChem (CID 130314863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).