4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine

C10H16N6S — CID 114182255

IUPAC4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine
SMILESCc1csc(Cc2nnnn2CCCCN)n1
InChIInChI=1S/C10H16N6S/c1-8-7-17-10(12-8)6-9-13-14-15-16(9)5-3-2-4-11/h7H,2-6,11H2,1H3
InChIKeyIYCDMCOCDMJSCQ-UHFFFAOYSA-N
MW252.35 g/mol
LogP0.77
Rot. Bonds6

About 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine

4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine (PubChem CID 114182255) has the molecular formula C10H16N6S and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine
PubChem CID114182255
Molecular FormulaC10H16N6S
Molecular Weight252.35 g/mol
Exact Mass252.12
IUPAC Name4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine
SMILESCc1csc(Cc2nnnn2CCCCN)n1
InChIInChI=1S/C10H16N6S/c1-8-7-17-10(12-8)6-9-13-14-15-16(9)5-3-2-4-11/h7H,2-6,11H2,1H3
InChIKeyIYCDMCOCDMJSCQ-UHFFFAOYSA-N
XLogP0.77
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[5-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727
4-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387362
4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
CID 114182228
4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
CID 106387289
7-amino-N-[(4-methyl-1,3-thiazol-2-yl)methyl]heptanamide;dihydrochloride
CID 119839230
4-[5-[(2,3-dimethylphenoxy)methyl]tetrazol-1-yl]butan-1-amine
CID 84759019
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 106387254
4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182237

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine (CID 114182255) is 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine is Cc1csc(Cc2nnnn2CCCCN)n1.
What is the InChIKey of 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine?
The InChIKey is IYCDMCOCDMJSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6S/c1-8-7-17-10(12-8)6-9-13-14-15-16(9)5-3-2-4-11/h7H,2-6,11H2,1H3.
What are the key properties of 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine?
4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine has a molecular weight of 252.35 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 114182255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).