N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine

C10H16N6S2 — CID 18708272

IUPACN,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine
SMILESCc1csc(Sc2nnnn2CCCN(C)C)n1
InChIInChI=1S/C10H16N6S2/c1-8-7-17-10(11-8)18-9-12-13-14-16(9)6-4-5-15(2)3/h7H,4-6H2,1-3H3
InChIKeyCKOFNGGLCMIMIR-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.54
Rot. Bonds6

About N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine

N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine (PubChem CID 18708272) has the molecular formula C10H16N6S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine
PubChem CID18708272
Molecular FormulaC10H16N6S2
Molecular Weight284.41 g/mol
Exact Mass284.09
IUPAC NameN,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine
SMILESCc1csc(Sc2nnnn2CCCN(C)C)n1
InChIInChI=1S/C10H16N6S2/c1-8-7-17-10(11-8)18-9-12-13-14-16(9)6-4-5-15(2)3/h7H,4-6H2,1-3H3
InChIKeyCKOFNGGLCMIMIR-UHFFFAOYSA-N
XLogP1.54
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine (CID 18708272) is N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine is Cc1csc(Sc2nnnn2CCCN(C)C)n1.
What is the InChIKey of N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine?
The InChIKey is CKOFNGGLCMIMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S2/c1-8-7-17-10(11-8)18-9-12-13-14-16(9)6-4-5-15(2)3/h7H,4-6H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine?
N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 18708272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).