5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine

C12H19N3OS — CID 103382051

IUPAC5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1N(CC1CC1)CC1CC1
InChIInChI=1S/C12H19N3OS/c1-16-10-11(13)14-17-12(10)15(6-8-2-3-8)7-9-4-5-9/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyJCZWGPXGGURTCH-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.36
Rot. Bonds6

About 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine

5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine (PubChem CID 103382051) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
PubChem CID103382051
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1N(CC1CC1)CC1CC1
InChIInChI=1S/C12H19N3OS/c1-16-10-11(13)14-17-12(10)15(6-8-2-3-8)7-9-4-5-9/h8-9H,2-7H2,1H3,(H2,13,14)
InChIKeyJCZWGPXGGURTCH-UHFFFAOYSA-N
XLogP2.36
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine (CID 103382051) is 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine is COc1c(N)nsc1N(CC1CC1)CC1CC1.
What is the InChIKey of 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine?
The InChIKey is JCZWGPXGGURTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-16-10-11(13)14-17-12(10)15(6-8-2-3-8)7-9-4-5-9/h8-9H,2-7H2,1H3,(H2,13,14).
What are the key properties of 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine?
5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine has a molecular weight of 253.37 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103382051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).